1-(Trifluoromethyl)cyclohexane-1-carboxylic acid - CAS 180918-40-5
Catalog: |
BB013773 |
Product Name: |
1-(Trifluoromethyl)cyclohexane-1-carboxylic acid |
CAS: |
180918-40-5 |
Synonyms: |
1-(trifluoromethyl)cyclohexane-1-carboxylic acid |
IUPAC Name: | 1-(trifluoromethyl)cyclohexane-1-carboxylic acid |
Description: | 1-(Trifluoromethyl)cyclohexane-1-carboxylic acid (CAS# 180918-40-5) is a useful research chemical. It is used in the preparation of dimethyltrifluoroethyl heteroarenes via dimethyltrifluoroethylation and cyclization of isonitriles with trifluorodimethylpropanoic acid. |
Molecular Weight: | 196.17 |
Molecular Formula: | C8H11F3O2 |
Canonical SMILES: | C1CCC(CC1)(C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13) |
InChI Key: | VFSFTDFBHSFDEE-UHFFFAOYSA-N |
Boiling Point: | 76-77 ℃ / 14 mmHg |
Appearance: | White to tan crystalline powder |
MDL: | MFCD08445820 |
LogP: | 2.58380 |
GHS Hazard Statement: | H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2017316965-B2 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
NZ-751261-A | Bicyclic nitrogenated heterocyclic compound | 20160826 |
AU-2016309337-A1 | Hydroxytriazine compound and medical use thereof | 20150817 |
CA-2992410-A1 | Hydroxytriazine compounds and pharmaceutical use thereof | 20150817 |
CN-108137515-A | Hydroxyl triaizine compounds and its medical usage | 20150817 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07111408 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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