2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane

C18H28F2O2 — CID 20599488

IUPAC2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
SMILESCCCOC1CCC(/C=C/C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C18H28F2O2/c1-2-11-21-17-10-9-16(22-13-17)8-7-14-3-5-15(6-4-14)12-18(19)20/h7-8,12,14-17H,2-6,9-11,13H2,1H3/b8-7+
InChIKeyVPNSUKPDWIFIDV-BQYQJAHWSA-N
MW314.42 g/mol
LogP5.10
Rot. Bonds6

About 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane

2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane (PubChem CID 20599488) has the molecular formula C18H28F2O2 and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane.

Molecular Properties

Compound Name2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
PubChem CID20599488
Molecular FormulaC18H28F2O2
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
SMILESCCCOC1CCC(/C=C/C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C18H28F2O2/c1-2-11-21-17-10-9-16(22-13-17)8-7-14-3-5-15(6-4-14)12-18(19)20/h7-8,12,14-17H,2-6,9-11,13H2,1H3/b8-7+
InChIKeyVPNSUKPDWIFIDV-BQYQJAHWSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]-5-pentyloxane
CID 20599491
2-[(E)-2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethenyl]-5-propoxyoxane
CID 20599509
5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane
CID 20599859
5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane
CID 20599877
5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane
CID 20599893
5-[4-[4-(2,2-difluoroethenyl)cyclohexyl]butyl]-2-[(E)-pent-1-enyl]oxane
CID 20599939
5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane
CID 20600032
2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane
CID 58163429
5-[4-(5,5-Difluoropent-4-enyl)cyclohexyl]-2-prop-1-enyloxane
CID 73684240
2-[2-[4-(2,2-Difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
CID 73690041
2-[2-[4-(3,3-Difluoroprop-2-enyl)cyclohexyl]ethenyl]-5-pentyloxane
CID 73690042
2-[2-[4-[4-[4-(2,2-Difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethenyl]-5-propoxyoxane
CID 73690046

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane?
The IUPAC name of 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane (CID 20599488) is 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane.
What is the SMILES notation for 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane?
The canonical SMILES for 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane is CCCOC1CCC(/C=C/C2CCC(C=C(F)F)CC2)OC1.
What is the InChIKey of 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane?
The InChIKey is VPNSUKPDWIFIDV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H28F2O2/c1-2-11-21-17-10-9-16(22-13-17)8-7-14-3-5-15(6-4-14)12-18(19)20/h7-8,12,14-17H,2-6,9-11,13H2,1H3/b8-7+.
What are the key properties of 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane?
2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane has a molecular weight of 314.42 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane is sourced from PubChem (CID 20599488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).