4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene

C30H44F2 — CID 19992698

IUPAC4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
SMILESCCC1CCC(C2CCC(/C=C/C3CCC(CCc4ccc(F)c(F)c4)CC3)CC2)CC1
InChIInChI=1S/C30H44F2/c1-2-22-11-16-27(17-12-22)28-18-13-25(14-19-28)8-7-23-3-5-24(6-4-23)9-10-26-15-20-29(31)30(32)21-26/h7-8,15,20-25,27-28H,2-6,9-14,16-19H2,1H3/b8-7+
InChIKeyIXHXGIVWCMAPGV-BQYQJAHWSA-N
MW442.68 g/mol
LogP9.28
Rot. Bonds7

About 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene

4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene (PubChem CID 19992698) has the molecular formula C30H44F2 and a molecular weight of 442.68 g/mol. Its IUPAC name is 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
PubChem CID19992698
Molecular FormulaC30H44F2
Molecular Weight442.68 g/mol
Exact Mass442.34
IUPAC Name4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
SMILESCCC1CCC(C2CCC(/C=C/C3CCC(CCc4ccc(F)c(F)c4)CC3)CC2)CC1
InChIInChI=1S/C30H44F2/c1-2-22-11-16-27(17-12-22)28-18-13-25(14-19-28)8-7-23-3-5-24(6-4-23)9-10-26-15-20-29(31)30(32)21-26/h7-8,15,20-25,27-28H,2-6,9-14,16-19H2,1H3/b8-7+
InChIKeyIXHXGIVWCMAPGV-BQYQJAHWSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene with MolForge

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Related Compounds

4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
(2E,4E)-5-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]penta-2,4-dienenitrile
CID 19613546
CID 54106542
CID 54106542
1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656533
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-bromo-4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 54333614
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
1-chloro-2-fluoro-4-[2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 19097896
2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene
CID 18653628
4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene
CID 18656509
1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
CID 54320850

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene?
The IUPAC name of 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene (CID 19992698) is 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene is CCC1CCC(C2CCC(/C=C/C3CCC(CCc4ccc(F)c(F)c4)CC3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene?
The InChIKey is IXHXGIVWCMAPGV-BQYQJAHWSA-N. The full InChI is InChI=1S/C30H44F2/c1-2-22-11-16-27(17-12-22)28-18-13-25(14-19-28)8-7-23-3-5-24(6-4-23)9-10-26-15-20-29(31)30(32)21-26/h7-8,15,20-25,27-28H,2-6,9-14,16-19H2,1H3/b8-7+.
What are the key properties of 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene?
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene has a molecular weight of 442.68 g/mol, XLogP of 9.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene is sourced from PubChem (CID 19992698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).