5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane

C24H38F2O — CID 20600002

IUPAC5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(C2CCC(C3CCC(CCC=C(F)F)CC3)CC2)CO1
InChIInChI=1S/C24H38F2O/c1-2-4-23-16-15-22(17-27-23)21-13-11-20(12-14-21)19-9-7-18(8-10-19)5-3-6-24(25)26/h2,4,6,18-23H,3,5,7-17H2,1H3/b4-2+
InChIKeyWDNAVFCKSPSNCF-DUXPYHPUSA-N
MW380.56 g/mol
LogP7.53
Rot. Bonds6

About 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane

5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane (PubChem CID 20600002) has the molecular formula C24H38F2O and a molecular weight of 380.56 g/mol. Its IUPAC name is 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane.

Molecular Properties

Compound Name5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
PubChem CID20600002
Molecular FormulaC24H38F2O
Molecular Weight380.56 g/mol
Exact Mass380.29
IUPAC Name5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(C2CCC(C3CCC(CCC=C(F)F)CC3)CC2)CO1
InChIInChI=1S/C24H38F2O/c1-2-4-23-16-15-22(17-27-23)21-13-11-20(12-14-21)19-9-7-18(8-10-19)5-3-6-24(25)26/h2,4,6,18-23H,3,5,7-17H2,1H3/b4-2+
InChIKeyWDNAVFCKSPSNCF-DUXPYHPUSA-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 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane with MolForge

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Related Compounds

5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-[(E)-pent-3-enyl]-1,3-dioxane
CID 20600013
5-[4-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-ethyl-1,3-dioxane
CID 20599988
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-2-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 20599897
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599518
2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
CID 20599472
1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
CID 19842816
5-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-2-(4-pentan-2-ylcyclohexyl)-1,3-dioxane
CID 162548072
2-[4-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]cyclohexyl]-5-ethenyloxane
CID 20599644
2-(2,2-difluoroethenyl)-5-[4-[2-(4-prop-2-enylcyclohexyl)ethyl]cyclohexyl]oxane
CID 20599924
4-[4-[2-[5-(4,4-difluorobut-3-enyl)oxan-2-yl]ethyl]cyclohexyl]cyclohexan-1-one
CID 20599809
2-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-1,3-dioxane
CID 20599519
5-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-1,3-dioxane
CID 91088342

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
The IUPAC name of 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane (CID 20600002) is 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane.
What is the SMILES notation for 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
The canonical SMILES for 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane is C/C=C/C1CCC(C2CCC(C3CCC(CCC=C(F)F)CC3)CC2)CO1.
What is the InChIKey of 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
The InChIKey is WDNAVFCKSPSNCF-DUXPYHPUSA-N. The full InChI is InChI=1S/C24H38F2O/c1-2-4-23-16-15-22(17-27-23)21-13-11-20(12-14-21)19-9-7-18(8-10-19)5-3-6-24(25)26/h2,4,6,18-23H,3,5,7-17H2,1H3/b4-2+.
What are the key properties of 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-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 5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane is sourced from PubChem (CID 20600002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).