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

C20H32F2O — CID 20599893

IUPAC5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(CCC2CCC(CCC=C(F)F)CC2)CO1
InChIInChI=1S/C20H32F2O/c1-2-4-19-14-13-18(15-23-19)12-11-17-9-7-16(8-10-17)5-3-6-20(21)22/h2,4,6,16-19H,3,5,7-15H2,1H3/b4-2+
InChIKeyUTLNDVDOXNRBEB-DUXPYHPUSA-N
MW326.47 g/mol
LogP6.50
Rot. Bonds7

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

5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane (PubChem CID 20599893) has the molecular formula C20H32F2O and a molecular weight of 326.47 g/mol. Its IUPAC name is 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane.

Molecular Properties

Compound Name5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane
PubChem CID20599893
Molecular FormulaC20H32F2O
Molecular Weight326.47 g/mol
Exact Mass326.24
IUPAC Name5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(CCC2CCC(CCC=C(F)F)CC2)CO1
InChIInChI=1S/C20H32F2O/c1-2-4-19-14-13-18(15-23-19)12-11-17-9-7-16(8-10-17)5-3-6-20(21)22/h2,4,6,16-19H,3,5,7-15H2,1H3/b4-2+
InChIKeyUTLNDVDOXNRBEB-DUXPYHPUSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Related Compounds

(2r,4r,4Ar,7r,8ar)-4-fluro-4,7-dimethyl-2-((e)-prop-1-en-1-yl)octahydro-2h-chromene
CID 154573994
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360
2-(2,2-Difluoroethenyl)-5-[2-(4-pentylcyclohexyl)ethyl]oxane
CID 20599454
2-(2,2-Difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane
CID 20599461
2-(2,2-difluoroethenyl)-5-[4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]cyclohexyl]oxane
CID 20599464
2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
CID 20599472
2-(2,2-Difluoroethenyl)-5-[4-(4-propylcyclohexyl)butyl]oxane
CID 20599473
2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
CID 20599488
2-[(E)-2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]-5-pentyloxane
CID 20599491
2-[(E)-2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]ethenyl]-5-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599526
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane?
The IUPAC name of 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane (CID 20599893) is 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane.
What is the SMILES notation for 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane?
The canonical SMILES for 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane is C/C=C/C1CCC(CCC2CCC(CCC=C(F)F)CC2)CO1.
What is the InChIKey of 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane?
The InChIKey is UTLNDVDOXNRBEB-DUXPYHPUSA-N. The full InChI is InChI=1S/C20H32F2O/c1-2-4-19-14-13-18(15-23-19)12-11-17-9-7-16(8-10-17)5-3-6-20(21)22/h2,4,6,16-19H,3,5,7-15H2,1H3/b4-2+.
What are the key properties of 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane?
5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane has a molecular weight of 326.47 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane is sourced from PubChem (CID 20599893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).