1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene

C26H33F — CID 67859483

IUPAC1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(C=CF)CC3)cc2)cc1
InChIInChI=1S/C26H33F/c1-2-3-4-5-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20-27/h7-8,11-12,15-20,22,24H,2-6,9-10,13-14H2,1H3
InChIKeyZDJCAPCZGYCYJD-UHFFFAOYSA-N
MW364.55 g/mol
LogP8.23
Rot. Bonds8

About 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene

1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene (PubChem CID 67859483) has the molecular formula C26H33F and a molecular weight of 364.55 g/mol. Its IUPAC name is 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene.

Molecular Properties

Compound Name1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
PubChem CID67859483
Molecular FormulaC26H33F
Molecular Weight364.55 g/mol
Exact Mass364.26
IUPAC Name1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(C=CF)CC3)cc2)cc1
InChIInChI=1S/C26H33F/c1-2-3-4-5-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20-27/h7-8,11-12,15-20,22,24H,2-6,9-10,13-14H2,1H3
InChIKeyZDJCAPCZGYCYJD-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 58.23
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-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 67864648
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
CID 67859342
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 19798695
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
The IUPAC name of 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene (CID 67859483) is 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene.
What is the SMILES notation for 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
The canonical SMILES for 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene is CCCCCCc1ccc(-c2ccc(C3CCC(C=CF)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
The InChIKey is ZDJCAPCZGYCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F/c1-2-3-4-5-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20-27/h7-8,11-12,15-20,22,24H,2-6,9-10,13-14H2,1H3.
What are the key properties of 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene has a molecular weight of 364.55 g/mol, XLogP of 8.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene is sourced from PubChem (CID 67859483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).