Organofluorine / Alfa Chemistry
Methyl 2-[4-(trifluoromethyl)phenyl]acetate

Methyl 2-[4-(trifluoromethyl)phenyl]acetate

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Methyl 2-[4-(trifluoromethyl)phenyl]acetate
Catalog OFC135325187
CAS 135325-18-7
Category Fluorinated Esters
Purity 98%
MDL Number MFCD08669944
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Chemical Data Computational Chemistry
Molecular Formula C10H9F3O2
Molecular Weight 218.17
Molar Refractivity 47.31
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 2.99
MLogP 2.99
SILICOS-IT 3.1
WLogP 3.57
XLogP3 2.78
iLogP 2.52
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.66 cm/s
P-gp Substrate No
Fraction Csp3 0.3

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