1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene

C26H32F2 — CID 22123874

IUPAC1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene
SMILESCCCCCC/C=C/c1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)cc1
InChIInChI=1S/C26H32F2/c1-2-3-4-5-6-7-8-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-19-26(27,28)20-18-25/h7-16,25H,2-6,17-20H2,1H3/b8-7+
InChIKeyKAWLDAGBZHCXSB-BQYQJAHWSA-N
MW382.54 g/mol
LogP8.63
Rot. Bonds8

About 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene

1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene (PubChem CID 22123874) has the molecular formula C26H32F2 and a molecular weight of 382.54 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene
PubChem CID22123874
Molecular FormulaC26H32F2
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene
SMILESCCCCCC/C=C/c1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)cc1
InChIInChI=1S/C26H32F2/c1-2-3-4-5-6-7-8-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-19-26(27,28)20-18-25/h7-16,25H,2-6,17-20H2,1H3/b8-7+
InChIKeyKAWLDAGBZHCXSB-BQYQJAHWSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-difluorocyclohexyl)-4-[2-[4-[(E)-non-1-enyl]phenyl]ethynyl]benzene
CID 139730020
1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-[(E)-non-1-enyl]benzene
CID 22123891
1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-[(E)-oct-1-enyl]benzene
CID 22123943
1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene
CID 70185336
1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
CID 22123950
1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
CID 54292273
1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
CID 22123888
2,3-difluoro-1-[4-(4-fluorocyclohexyl)phenyl]-4-[(E)-undec-1-enyl]benzene
CID 22123923
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
2-fluoro-1-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]-4-[(E)-undec-1-enyl]benzene
CID 139730064
[(E)-octadec-1-enyl]benzene
CID 22722345
trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide
CID 102401173

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene (CID 22123874) is 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene is CCCCCC/C=C/c1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)cc1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene?
The InChIKey is KAWLDAGBZHCXSB-BQYQJAHWSA-N. The full InChI is InChI=1S/C26H32F2/c1-2-3-4-5-6-7-8-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-19-26(27,28)20-18-25/h7-16,25H,2-6,17-20H2,1H3/b8-7+.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene?
1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene has a molecular weight of 382.54 g/mol, XLogP of 8.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene is sourced from PubChem (CID 22123874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).