Organofluorine / Alfa Chemistry
4-(Trifluoromethoxy)toluene

4-(Trifluoromethoxy)toluene

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4-(Trifluoromethoxy)toluene
Catalog OFC706274
CAS 706-27-4
Category Fluorinated Ethers
Purity 98%
MDL Number MFCD00042413
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Chemical Data Computational Chemistry
Molecular Formula C8H7F3O
Molecular Weight 176.14
Molar Refractivity 38.09
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 2.0
Veber 0.0
Consensus LogP 3.14
MLogP 2.61
SILICOS-IT 2.83
WLogP 4.15
XLogP3 3.87
iLogP 2.25
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -4.63 cm/s
P-gp Substrate No
Fraction Csp3 0.25

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