4,4-Difluorocyclohexanecarboxylic acid - CAS 122665-97-8
Catalog: |
BB005441 |
Product Name: |
4,4-Difluorocyclohexanecarboxylic acid |
CAS: |
122665-97-8 |
Synonyms: |
4,4-difluorocyclohexane-1-carboxylic acid |
IUPAC Name: | 4,4-difluorocyclohexane-1-carboxylic acid |
Description: | A di-substituted cyclohexane carboxylic acids used in the synthesis of macrolide antibiotics. |
Molecular Weight: | 164.15 |
Molecular Formula: | C7H10F2O2 |
Canonical SMILES: | C1CC(CCC1C(=O)O)(F)F |
InChI: | InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11) |
InChI Key: | HYIUDFLDFSIXTR-UHFFFAOYSA-N |
Boiling Point: | 241.1 °C at 760 mmHg |
Melting Point: | 103-107 °C |
Purity: | 98 % |
Density: | 1.24 g/cm3 |
Appearance: | White solid |
MDL: | MFCD03788493 |
LogP: | 1.89650 |
GHS Hazard Statement: | H315 (99.26%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021210586-A1 | Condensed heterocyclic compound | 20200414 |
WO-2021202460-A1 | Broad spectrum antivirals against coronavirus | 20200330 |
CN-112707902-A | TGF-beta receptor inhibitors | 20200323 |
WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2020241277-A1 | Radiation-sensitive resin composition, method for forming resist pattern and compound | 20190527 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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