4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane

C20H32F2 — CID 123882449

IUPAC4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane
SMILESCCC1CCC(C2CCC(=C3CCC(F)C(F)C3)CC2)CC1
InChIInChI=1S/C20H32F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h14-16,19-20H,2-13H2,1H3/b18-17-
InChIKeyHOGVEDJHFQAAEF-ZCXUNETKSA-N
MW310.47 g/mol
LogP6.55
Rot. Bonds2

About 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane

4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane (PubChem CID 123882449) has the molecular formula C20H32F2 and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane.

Molecular Properties

Compound Name4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane
PubChem CID123882449
Molecular FormulaC20H32F2
Molecular Weight310.47 g/mol
Exact Mass310.25
IUPAC Name4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane
SMILESCCC1CCC(C2CCC(=C3CCC(F)C(F)C3)CC2)CC1
InChIInChI=1S/C20H32F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h14-16,19-20H,2-13H2,1H3/b18-17-
InChIKeyHOGVEDJHFQAAEF-ZCXUNETKSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.47
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane?
The IUPAC name of 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane (CID 123882449) is 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane.
What is the SMILES notation for 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane?
The canonical SMILES for 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane is CCC1CCC(C2CCC(=C3CCC(F)C(F)C3)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane?
The InChIKey is HOGVEDJHFQAAEF-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H32F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h14-16,19-20H,2-13H2,1H3/b18-17-.
What are the key properties of 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane?
4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane has a molecular weight of 310.47 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylcyclohexyl)cyclohexylidene]-1,2-difluorocyclohexane is sourced from PubChem (CID 123882449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).