Organofluorine / Alfa Chemistry
Octadecyl 2,2,2-trifluoroacetate

Octadecyl 2,2,2-trifluoroacetate

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Octadecyl 2,2,2-trifluoroacetate
Catalog OFC79392431
CAS 79392-43-1
Category Fluorinated Esters
Purity 95%
MDL Number MFCD26792329
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Chemical Data Computational Chemistry
Molecular Formula C20H37F3O2
Molecular Weight 366.50
Molar Refractivity 99.73
Bioavailability Score 0.55
Egan 1.0
Ghose None
Lipinski 1.0
Muegge 2.0
Veber 1.0
Consensus LogP 7.45
MLogP 5.47
SILICOS-IT 7.84
WLogP 8.61
XLogP3 9.95
iLogP 5.38
BBB Permeant No
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption Low
LogKp -1.47 cm/s
P-gp Substrate No
Fraction Csp3 0.95

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