CAS 117169-31-0 | Cyclohexanecarboxylic acid, 1-fluoro- | CAS Number 117169-31-0

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117169-31-0 | Cyclohexanecarboxylic acid, 1-fluoro-

CAS No: 117169-31-0 Catalog No: AG000DU9 MDL No:MFCD08751334

Product Description

Catalog Number:

AG000DU9

Chemical Name:

Cyclohexanecarboxylic acid, 1-fluoro-

CAS Number:

117169-31-0

Molecular Formula:

C7H11FO2

Molecular Weight:

146.1594

MDL Number:

MFCD08751334

IUPAC Name:

1-fluorocyclohexane-1-carboxylic acid

InChI:

InChI=1S/C7H11FO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10)

InChI Key:

KPHYQWGKSTZREA-UHFFFAOYSA-N

SMILES:

OC(=O)C1(F)CCCCC1

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

146.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

146.161g/mol

Monoisotopic Mass:

146.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Liquid chromatography-tandem mass spectrometry identification of metabolites of three phenylcarboxyl derivatives of the 5-HT(1A) antagonist, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-(2-pyridyl) trans-4-fluorocyclohexanecarboxamide (FCWAY), produced by human and rat hepatocytes.	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20021115