3,3-Dimethyl-1-(trifluoromethyl)cyclohexanol - CAS 1340042-14-9
Catalog: |
BB007854 |
Product Name: |
3,3-Dimethyl-1-(trifluoromethyl)cyclohexanol |
CAS: |
1340042-14-9 |
Synonyms: |
3,3-dimethyl-1-(trifluoromethyl)-1-cyclohexanol; 3,3-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol |
IUPAC Name: | 3,3-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol |
Description: | 3,3-Dimethyl-1-(trifluoromethyl)cyclohexanol (CAS# 1340042-14-9) is a useful research chemical. |
Molecular Weight: | 196.21 |
Molecular Formula: | C9H15F3O |
Canonical SMILES: | CC1(CCCC(C1)(C(F)(F)F)O)C |
InChI: | InChI=1S/C9H15F3O/c1-7(2)4-3-5-8(13,6-7)9(10,11)12/h13H,3-6H2,1-2H3 |
InChI Key: | LHYHVKHAARQLED-UHFFFAOYSA-N |
LogP: | 2.88000 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.10749958 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.10749958 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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