2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane

C24H38F2O — CID 20599591

IUPAC2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
SMILESCCC/C=C/C1CCC(C2CCC(C3CCC(C=C(F)F)CC3)CC2)OC1
InChIInChI=1S/C24H38F2O/c1-2-3-4-5-19-8-15-23(27-17-19)22-13-11-21(12-14-22)20-9-6-18(7-10-20)16-24(25)26/h4-5,16,18-23H,2-3,6-15,17H2,1H3/b5-4+
InChIKeyVZIDAEHJDXMWDV-SNAWJCMRSA-N
MW380.56 g/mol
LogP7.53
Rot. Bonds6

About 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane

2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane (PubChem CID 20599591) has the molecular formula C24H38F2O and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane.

Molecular Properties

Compound Name2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
PubChem CID20599591
Molecular FormulaC24H38F2O
Molecular Weight380.56 g/mol
Exact Mass380.29
IUPAC Name2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
SMILESCCC/C=C/C1CCC(C2CCC(C3CCC(C=C(F)F)CC3)CC2)OC1
InChIInChI=1S/C24H38F2O/c1-2-3-4-5-19-8-15-23(27-17-19)22-13-11-21(12-14-22)20-9-6-18(7-10-20)16-24(25)26/h4-5,16,18-23H,2-3,6-15,17H2,1H3/b5-4+
InChIKeyVZIDAEHJDXMWDV-SNAWJCMRSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane?
The IUPAC name of 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane (CID 20599591) is 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane.
What is the SMILES notation for 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane?
The canonical SMILES for 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane is CCC/C=C/C1CCC(C2CCC(C3CCC(C=C(F)F)CC3)CC2)OC1.
What is the InChIKey of 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane?
The InChIKey is VZIDAEHJDXMWDV-SNAWJCMRSA-N. The full InChI is InChI=1S/C24H38F2O/c1-2-3-4-5-19-8-15-23(27-17-19)22-13-11-21(12-14-22)20-9-6-18(7-10-20)16-24(25)26/h4-5,16,18-23H,2-3,6-15,17H2,1H3/b5-4+.
What are the key properties of 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane?
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane has a molecular weight of 380.56 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane is sourced from PubChem (CID 20599591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).