2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol

C8H11ClF2O — CID 85166929

IUPAC2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol
SMILESOC1CCCCC1C(Cl)=C(F)F
InChIInChI=1S/C8H11ClF2O/c9-7(8(10)11)5-3-1-2-4-6(5)12/h5-6,12H,1-4H2
InChIKeyCCJSXCAGWBRHLY-UHFFFAOYSA-N
MW196.62 g/mol
LogP2.88
Rot. Bonds1

About 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol

2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol (PubChem CID 85166929) has the molecular formula C8H11ClF2O and a molecular weight of 196.62 g/mol. Its IUPAC name is 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol
PubChem CID85166929
Molecular FormulaC8H11ClF2O
Molecular Weight196.62 g/mol
Exact Mass196.05
IUPAC Name2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol
SMILESOC1CCCCC1C(Cl)=C(F)F
InChIInChI=1S/C8H11ClF2O/c9-7(8(10)11)5-3-1-2-4-6(5)12/h5-6,12H,1-4H2
InChIKeyCCJSXCAGWBRHLY-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol?
The IUPAC name of 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol (CID 85166929) is 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol is OC1CCCCC1C(Cl)=C(F)F.
What is the InChIKey of 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol?
The InChIKey is CCJSXCAGWBRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2O/c9-7(8(10)11)5-3-1-2-4-6(5)12/h5-6,12H,1-4H2.
What are the key properties of 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol?
2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol has a molecular weight of 196.62 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2-difluoroethenyl)cyclohexan-1-ol is sourced from PubChem (CID 85166929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).