2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene

C25H30F2 — CID 67806781

IUPAC2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene
SMILESCCCCCC1CCC(c2ccc(C=Cc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C25H30F2/c1-2-3-4-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-16-17-24(26)18-25(23)27/h8-10,13-19,21H,2-7,11-12H2,1H3
InChIKeyXAEIWIMENOUEFS-UHFFFAOYSA-N
MW368.51 g/mol
LogP7.99
Rot. Bonds7

About 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene

2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene (PubChem CID 67806781) has the molecular formula C25H30F2 and a molecular weight of 368.51 g/mol. Its IUPAC name is 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene
PubChem CID67806781
Molecular FormulaC25H30F2
Molecular Weight368.51 g/mol
Exact Mass368.23
IUPAC Name2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene
SMILESCCCCCC1CCC(c2ccc(C=Cc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C25H30F2/c1-2-3-4-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-16-17-24(26)18-25(23)27/h8-10,13-19,21H,2-7,11-12H2,1H3
InChIKeyXAEIWIMENOUEFS-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene
CID 67859215
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-1-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247524
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethenyl]benzene
CID 54176052
1-fluoro-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]benzene
CID 2189527
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
CID 54292273
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene (CID 67806781) is 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene is CCCCCC1CCC(c2ccc(C=Cc3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene?
The InChIKey is XAEIWIMENOUEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2/c1-2-3-4-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-16-17-24(26)18-25(23)27/h8-10,13-19,21H,2-7,11-12H2,1H3.
What are the key properties of 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene?
2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene has a molecular weight of 368.51 g/mol, XLogP of 7.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 67806781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).