4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol

C9H16F2O — CID 21252718

IUPAC4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol
SMILESCC(C(F)F)C1CCC(O)CC1
InChIInChI=1S/C9H16F2O/c1-6(9(10)11)7-2-4-8(12)5-3-7/h6-9,12H,2-5H2,1H3
InChIKeyPTKJBXOXAVGXSO-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.44
Rot. Bonds2

About 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol

4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol (PubChem CID 21252718) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol
PubChem CID21252718
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol
SMILESCC(C(F)F)C1CCC(O)CC1
InChIInChI=1S/C9H16F2O/c1-6(9(10)11)7-2-4-8(12)5-3-7/h6-9,12H,2-5H2,1H3
InChIKeyPTKJBXOXAVGXSO-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol (CID 21252718) is 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol is CC(C(F)F)C1CCC(O)CC1.
What is the InChIKey of 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol?
The InChIKey is PTKJBXOXAVGXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-6(9(10)11)7-2-4-8(12)5-3-7/h6-9,12H,2-5H2,1H3.
What are the key properties of 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol?
4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol has a molecular weight of 178.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 21252718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).