Molecular formula
C20H19F3N2O5

SMILES
CCOC(=O)[C@@](C(F)(F)F)(NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Fragrance
Odorless	54.53%
Savory	28.99%
Cooling	26.63%
Milky	22.8%
Sweet	22.67%
Fruity	22.61%
Grape	21.13%
Bitter	19.53%
Cooked	18.98%
Balsamic	18.17%

 

Flavor
Bitter	82.77%
Odorless	42.29%
Bland	34.9%
Sweet-like	21.4%
Mild	19.57%
Nitrile	18.32%
Cedarleaf	18.31%
Heather	17.79%
Broom	17.76%
Parsley	17.47%

 

Odor impact est.
Low

XLogP3-AA
3.4

pKa est.
5.44 (weak acid)

Molecular weight
424.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
689°C

Flash point

• 152.18 ˚C est.

ethyl (2R)-2-benzamido-2-(1,3-benzodioxol-5-ylmethylamino)-3,3,3-trifluoropropanoate is used as a chiral building block in pharmaceutical development, providing a scaffold for amide- and CF3-containing frameworks; it serves as a synthetic intermediate for medicinal chemistry, enabling library generation and various functional-group transformations in drug discovery; it may also be evaluated as a precursor in agrochemical research and as part of industrial-scale synthesis routes for CF3-bearing compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	108.15
methanol	218.93
isopropanol	53.25
water	0.28
ethyl acetate	88.65
n-propanol	64.56
acetone	273.78
n-butanol	51.05
acetonitrile	116.25
DMF	239.69
toluene	26.37
isobutanol	40.91
1,4-dioxane	126.59
methyl acetate	125.58
THF	334.23
2-butanone	148.91
n-pentanol	33.48
sec-butanol	51.12
n-hexane	0.69
ethylene glycol	32.21
NMP	267.51
cyclohexane	1.97
DMSO	488.89
n-butyl acetate	31.95
n-octanol	12.07
chloroform	150.22
n-propyl acetate	43.67
acetic acid	285.79
dichloromethane	200.42
cyclohexanone	161.54
propylene glycol	30.59
isopropyl acetate	44.65
DMAc	310.43
2-ethoxyethanol	113.72
isopentanol	43.48
n-heptane	0.85
ethyl formate	69.36
1,2-dichloroethane	124.69
n-hexanol	24.58
2-methoxyethanol	241.77
isobutyl acetate	16.52
tetrachloromethane	12.36
n-pentyl acetate	29.45
transcutol	141.35
n-heptanol	16.82
ethylbenzene	9.83
MIBK	39.1
2-propoxyethanol	89.22
tert-butanol	50.16
MTBE	31.5
2-butoxyethanol	56.4
propionic acid	78.65
o-xylene	14.51
formic acid	188.4
diethyl ether	42.93
m-xylene	10.15
p-xylene	11.93
chlorobenzene	30.63
dimethyl carbonate	77.86
n-octane	0.53
formamide	349.08
cyclopentanone	221.7
2-pentanone	89.34
anisole	32.63
cyclopentyl methyl ether	54.05
gamma-butyrolactone	241.8
1-methoxy-2-propanol	115.61
pyridine	146.2
3-pentanone	66.75
furfural	187.62
n-dodecane	0.59
diethylene glycol	97.62
diisopropyl ether	7.16
tert-amyl alcohol	46.74
acetylacetone	138.85
n-hexadecane	0.67
acetophenone	49.26
methyl propionate	84.34
isopentyl acetate	26.99
trichloroethylene	241.71
n-nonanol	12.69
cyclohexanol	42.92
benzyl alcohol	46.16
2-ethylhexanol	12.43
isooctanol	12.8
dipropyl ether	14.96
1,2-dichlorobenzene	27.6
ethyl lactate	34.26
propylene carbonate	93.52
n-methylformamide	170.66
2-pentanol	27.85
n-pentane	1.2
1-propoxy-2-propanol	44.12
1-methoxy-2-propyl acetate	48.63
2-(2-methoxypropoxy) propanol	48.49
mesitylene	4.82
ε-caprolactone	119.31
p-cymene	6.72
epichlorohydrin	307.26
1,1,1-trichloroethane	62.27
2-aminoethanol	60.71
morpholine-4-carbaldehyde	198.31
sulfolane	277.04
2,2,4-trimethylpentane	0.72
2-methyltetrahydrofuran	128.5
n-hexyl acetate	32.51
isooctane	0.34
2-(2-butoxyethoxy)ethanol	66.68
sec-butyl acetate	25.01
tert-butyl acetate	37.89
decalin	0.83
glycerin	62.14
diglyme	129.77
acrylic acid	100.6
isopropyl myristate	12.15
n-butyric acid	87.83
acetyl acetate	79.73
di(2-ethylhexyl) phthalate	19.39
ethyl propionate	39.63
nitromethane	485.33
1,2-diethoxyethane	42.19
benzonitrile	47.22
trioctyl phosphate	12.81
1-bromopropane	41.37
gamma-valerolactone	264.98
n-decanol	9.5
triethyl phosphate	16.64
4-methyl-2-pentanol	14.5
propionitrile	66.49
vinylene carbonate	89.03
1,1,2-trichlorotrifluoroethane	207.39
DMS	46.95
cumene	5.55
2-octanol	9.97
2-hexanone	48.31
octyl acetate	18.97
limonene	9.52
1,2-dimethoxyethane	141.59
ethyl orthosilicate	14.9
tributyl phosphate	14.25
diacetone alcohol	71.08
N,N-dimethylaniline	19.42
acrylonitrile	103.43
aniline	49.86
1,3-propanediol	86.41
bromobenzene	27.3
dibromomethane	101.02
1,1,2,2-tetrachloroethane	150.56
2-methyl-cyclohexyl acetate	23.79
tetrabutyl urea	24.88
diisobutyl methanol	6.75
2-phenylethanol	40.77
styrene	13.14
dioctyl adipate	21.52
dimethyl sulfate	120.36
ethyl butyrate	26.52
methyl lactate	71.13
butyl lactate	28.68
diethyl carbonate	21.83
propanediol butyl ether	37.61
triethyl orthoformate	19.77
p-tert-butyltoluene	5.62
methyl 4-tert-butylbenzoate	39.78
morpholine	160.03
tert-butylamine	17.6
n-dodecanol	6.95
dimethoxymethane	181.85
ethylene carbonate	69.07
cyrene	77.28
2-ethoxyethyl acetate	53.73
2-ethylhexyl acetate	19.79
1,2,4-trichlorobenzene	41.6
4-methylpyridine	106.12
dibutyl ether	11.41
2,6-dimethyl-4-heptanol	6.75
DEF	94.83
dimethyl isosorbide	83.69
tetrachloroethylene	96.8
eugenol	43.8
triacetin	47.26
span 80	35.29
1,4-butanediol	31.11
1,1-dichloroethane	78.34
2-methyl-1-pentanol	30.67
methyl formate	152.23
2-methyl-1-butanol	42.05
n-decane	0.87
butyronitrile	52.31
3,7-dimethyl-1-octanol	11.37
1-chlorooctane	5.74
1-chlorotetradecane	2.45
n-nonane	0.69
undecane	0.71
tert-butylcyclohexane	0.53
cyclooctane	0.6
cyclopentanol	63.44
tetrahydropyran	83.21
tert-amyl methyl ether	27.72
2,5,8-trioxanonane	93.84
1-hexene	5.11
2-isopropoxyethanol	59.92
2,2,2-trifluoroethanol	95.14
methyl butyrate	53.18

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