Organofluorine / Alfa Chemistry
2-(3,5-Difluorophenyl)acetonitrile

2-(3,5-Difluorophenyl)acetonitrile

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2-(3,5-Difluorophenyl)acetonitrile
Catalog OFC122376765-2
CAS 122376-76-5
Category Fluorinated Nitriles
Purity 97%
MDL Number MFCD00061278
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C8H5F2N
Molecular Weight 153.13
Molar Refractivity 35.88
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 2.0
Veber 0.0
Consensus LogP 2.39
MLogP 2.63
SILICOS-IT 2.96
WLogP 2.87
XLogP3 1.78
iLogP 1.69
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.97 cm/s
P-gp Substrate No
Fraction Csp3 0.12
GHS Pictogram GHS07
Hazard Statements H302-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305+P351+P338

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