4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol

C20H32F2O — CID 89059440

IUPAC4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
SMILESC=CC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C20H32F2O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18(23)20(22)19(17)21/h2,13-20,23H,1,3-12H2
InChIKeyFXOSLMXXELFAFK-UHFFFAOYSA-N
MW326.47 g/mol
LogP5.23
Rot. Bonds3

About 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol

4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol (PubChem CID 89059440) has the molecular formula C20H32F2O and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
PubChem CID89059440
Molecular FormulaC20H32F2O
Molecular Weight326.47 g/mol
Exact Mass326.24
IUPAC Name4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
SMILESC=CC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C20H32F2O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18(23)20(22)19(17)21/h2,13-20,23H,1,3-12H2
InChIKeyFXOSLMXXELFAFK-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
The IUPAC name of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol (CID 89059440) is 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
The canonical SMILES for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol is C=CC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
The InChIKey is FXOSLMXXELFAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18(23)20(22)19(17)21/h2,13-20,23H,1,3-12H2.
What are the key properties of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol has a molecular weight of 326.47 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol is sourced from PubChem (CID 89059440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).