1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene

C27H35F — CID 19798695

IUPAC1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(CC/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C27H35F/c1-2-3-4-7-22-9-13-24(14-10-22)26-17-19-27(20-18-26)25-15-11-23(12-16-25)8-5-6-21-28/h6,9-10,13-14,17-21,23,25H,2-5,7-8,11-12,15-16H2,1H3/b21-6+
InChIKeySWANSOGYZOCRSP-AERZKKPOSA-N
MW378.58 g/mol
LogP8.62
Rot. Bonds9

About 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene

1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene (PubChem CID 19798695) has the molecular formula C27H35F and a molecular weight of 378.58 g/mol. Its IUPAC name is 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
PubChem CID19798695
Molecular FormulaC27H35F
Molecular Weight378.58 g/mol
Exact Mass378.27
IUPAC Name1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(CC/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C27H35F/c1-2-3-4-7-22-9-13-24(14-10-22)26-17-19-27(20-18-26)25-15-11-23(12-16-25)8-5-6-21-28/h6,9-10,13-14,17-21,23,25H,2-5,7-8,11-12,15-16H2,1H3/b21-6+
InChIKeySWANSOGYZOCRSP-AERZKKPOSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 58.62
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-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 67864648
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
5-[4-(4-heptylphenyl)cyclohexyl]pent-2-enenitrile
CID 54439791

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene (CID 19798695) is 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(C3CCC(CC/C=C/F)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The InChIKey is SWANSOGYZOCRSP-AERZKKPOSA-N. The full InChI is InChI=1S/C27H35F/c1-2-3-4-7-22-9-13-24(14-10-22)26-17-19-27(20-18-26)25-15-11-23(12-16-25)8-5-6-21-28/h6,9-10,13-14,17-21,23,25H,2-5,7-8,11-12,15-16H2,1H3/b21-6+.
What are the key properties of 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene has a molecular weight of 378.58 g/mol, XLogP of 8.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 19798695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).