Organofluorine / Alfa Chemistry
Ethyl 1-(trifluoromethyl)cyclopropanecarboxylate

Ethyl 1-(trifluoromethyl)cyclopropanecarboxylate

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Ethyl 1-(trifluoromethyl)cyclopropanecarboxylate
Catalog OFC139229575
CAS 139229-57-5
Category Fluorinated Aliphatic Cyclic Hydrocarbons
Purity 97%
MDL Number MFCD22199506
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Chemical Data Computational Chemistry
Molecular Formula C7H9F3O2
Molecular Weight 182.14
Molar Refractivity 34.87
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 1.0
Veber 0.0
Consensus LogP 2.24
MLogP 1.73
SILICOS-IT 2.35
WLogP 3.09
XLogP3 1.87
iLogP 2.17
BBB Permeant Yes
CYP1A2 Inhibitor No
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -6.08 cm/s
P-gp Substrate No
Fraction Csp3 0.86

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