4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol

C7H10F4O — CID 166719534

IUPAC4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(F)C(C(F)(F)F)C1
InChIInChI=1S/C7H10F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h4-6,12H,1-3H2
InChIKeyJMDPRZRAOHYTJW-UHFFFAOYSA-N
MW186.15 g/mol
LogP2.05
Rot. Bonds

About 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol

4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 166719534) has the molecular formula C7H10F4O and a molecular weight of 186.15 g/mol. Its IUPAC name is 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID166719534
Molecular FormulaC7H10F4O
Molecular Weight186.15 g/mol
Exact Mass186.07
IUPAC Name4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(F)C(C(F)(F)F)C1
InChIInChI=1S/C7H10F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h4-6,12H,1-3H2
InChIKeyJMDPRZRAOHYTJW-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol (CID 166719534) is 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(F)C(C(F)(F)F)C1.
What is the InChIKey of 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JMDPRZRAOHYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h4-6,12H,1-3H2.
What are the key properties of 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol?
4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 186.15 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 166719534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).