3-(difluoromethyl)cyclohexan-1-ol

C7H12F2O — CID 84716409

IUPAC3-(difluoromethyl)cyclohexan-1-ol
SMILESOC1CCCC(C(F)F)C1
InChIInChI=1S/C7H12F2O/c8-7(9)5-2-1-3-6(10)4-5/h5-7,10H,1-4H2
InChIKeyRJWATGKDANMOCE-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.80
Rot. Bonds1

About 3-(difluoromethyl)cyclohexan-1-ol

3-(difluoromethyl)cyclohexan-1-ol (PubChem CID 84716409) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(difluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)cyclohexan-1-ol
PubChem CID84716409
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-(difluoromethyl)cyclohexan-1-ol
SMILESOC1CCCC(C(F)F)C1
InChIInChI=1S/C7H12F2O/c8-7(9)5-2-1-3-6(10)4-5/h5-7,10H,1-4H2
InChIKeyRJWATGKDANMOCE-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(difluoromethyl)cyclohexan-1-ol (CID 84716409) is 3-(difluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(difluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(difluoromethyl)cyclohexan-1-ol is OC1CCCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)cyclohexan-1-ol?
The InChIKey is RJWATGKDANMOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c8-7(9)5-2-1-3-6(10)4-5/h5-7,10H,1-4H2.
What are the key properties of 3-(difluoromethyl)cyclohexan-1-ol?
3-(difluoromethyl)cyclohexan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 84716409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).