Organofluorine / Alfa Chemistry
4-(Trifluoromethyl)aniline

4-(Trifluoromethyl)aniline

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4-(Trifluoromethyl)aniline
Catalog OFC455141
CAS 455-14-1
Category Fluorinated Aliphatic Amines and Amidines
Purity 98%
MDL Number MFCD00064396
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C7H6F3N
Molecular Weight 161.12
Molar Refractivity 35.85
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 2.0
Veber 0.0
Consensus LogP 2.41
MLogP 2.57
SILICOS-IT 2.11
WLogP 3.45
XLogP3 2.39
iLogP 1.54
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.59 cm/s
P-gp Substrate No
Fraction Csp3 0.14
GHS Pictogram GHS05; GHS06; GHS09
Hazard Statements H301-H318-H410
Packing Group
Precautionary Statements P264-P270-P273-P280-P301+P310+P330-P305+P351+P338+P310-P391-P405-P501

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