1-Fluorocyclohexanecarboxylic Acid - CAS 117169-31-0
Catalog: |
BB003861 |
Product Name: |
1-Fluorocyclohexanecarboxylic Acid |
CAS: |
117169-31-0 |
Synonyms: |
1-fluoro-1-cyclohexanecarboxylic acid; 1-fluorocyclohexane-1-carboxylic acid |
IUPAC Name: | 1-fluorocyclohexane-1-carboxylic acid |
Description: | 1-Fluorocyclohexanecarboxylic Acid (CAS# 117169-31-0) is a useful research chemical. |
Molecular Weight: | 146.16 |
Molecular Formula: | C7H11FO2 |
Canonical SMILES: | C1CCC(CC1)(C(=O)O)F |
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 |
Boiling Point: | 227.6 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
LogP: | 1.74340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3601203-A1 | Process for synthesizing fluorinated cyclic aliphatic compounds | 20170327 |
WO-2018177661-A1 | Process for synthesizing fluorinated cyclic aliphatic compounds | 20170327 |
AU-2017281439-A1 | Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists | 20160621 |
EP-3472148-A1 | Carbamoyloxymethyl triazole cyclohexyl acids as lpa antagonists | 20160621 |
WO-2017223016-A1 | Carbamoyloxymethyl triazole cyclohexyl acids as lpa antagonists | 20160621 |
PMID | Publication Date | Title | Journal |
12383485 | 20021115 | 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 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.07430775 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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