[4-(5,5-difluorohexyl)cyclohexyl]methanol

C13H24F2O — CID 58329769

IUPAC[4-(5,5-difluorohexyl)cyclohexyl]methanol
SMILESCC(F)(F)CCCCC1CCC(CO)CC1
InChIInChI=1S/C13H24F2O/c1-13(14,15)9-3-2-4-11-5-7-12(10-16)8-6-11/h11-12,16H,2-10H2,1H3
InChIKeyVNWGKYQYQSIGQJ-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.00
Rot. Bonds6

About [4-(5,5-difluorohexyl)cyclohexyl]methanol

[4-(5,5-difluorohexyl)cyclohexyl]methanol (PubChem CID 58329769) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is [4-(5,5-difluorohexyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(5,5-difluorohexyl)cyclohexyl]methanol
PubChem CID58329769
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name[4-(5,5-difluorohexyl)cyclohexyl]methanol
SMILESCC(F)(F)CCCCC1CCC(CO)CC1
InChIInChI=1S/C13H24F2O/c1-13(14,15)9-3-2-4-11-5-7-12(10-16)8-6-11/h11-12,16H,2-10H2,1H3
InChIKeyVNWGKYQYQSIGQJ-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(5,5-difluorohexyl)cyclohexyl]methanol?
The IUPAC name of [4-(5,5-difluorohexyl)cyclohexyl]methanol (CID 58329769) is [4-(5,5-difluorohexyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(5,5-difluorohexyl)cyclohexyl]methanol?
The canonical SMILES for [4-(5,5-difluorohexyl)cyclohexyl]methanol is CC(F)(F)CCCCC1CCC(CO)CC1.
What is the InChIKey of [4-(5,5-difluorohexyl)cyclohexyl]methanol?
The InChIKey is VNWGKYQYQSIGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-13(14,15)9-3-2-4-11-5-7-12(10-16)8-6-11/h11-12,16H,2-10H2,1H3.
What are the key properties of [4-(5,5-difluorohexyl)cyclohexyl]methanol?
[4-(5,5-difluorohexyl)cyclohexyl]methanol has a molecular weight of 234.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,5-difluorohexyl)cyclohexyl]methanol is sourced from PubChem (CID 58329769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).