(1S)-3,3-difluorocyclohexane-1-carboxylic acid - CAS 2199500-65-5
Catalog: |
BB017256 |
Product Name: |
(1S)-3,3-difluorocyclohexane-1-carboxylic acid |
CAS: |
2199500-65-5 |
Synonyms: |
3,3-difluoro-1-cyclohexanecarboxylic acid; 3,3-difluorocyclohexane-1-carboxylic acid |
IUPAC Name: | (1S)-3,3-difluorocyclohexane-1-carboxylic acid |
Description: | (1S)-3,3-difluorocyclohexane-1-carboxylic acid (CAS# 2199500-65-5 ) is a useful research chemical. |
Molecular Weight: | 164.152 |
Molecular Formula: | C7H10F2O2 |
Canonical SMILES: | C1CC(CC(C1)(F)F)C(=O)O |
InChI: | InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11) |
InChI Key: | GSVZSOJKYXYXAX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CA-3034802-A1 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
EP-3505171-A1 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
US-2019185479-A1 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
US-2012108595-A1 | Platelet-activating factor receptor antagonists | 20090724 |
US-9029377-B2 | Platelet-activating factor receptor antagonists | 20090724 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.06488588 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.06488588 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Cyclohexane
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