1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene

C23H26ClF — CID 54385187

IUPAC1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
SMILESFCCCC=CC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C23H26ClF/c24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-1-3-17-25/h2,4,9-16,18-19H,1,3,5-8,17H2
InChIKeyVCSMPFIESWPBFY-UHFFFAOYSA-N
MW356.91 g/mol
LogP7.59
Rot. Bonds6

About 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene

1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene (PubChem CID 54385187) has the molecular formula C23H26ClF and a molecular weight of 356.91 g/mol. Its IUPAC name is 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
PubChem CID54385187
Molecular FormulaC23H26ClF
Molecular Weight356.91 g/mol
Exact Mass356.17
IUPAC Name1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
SMILESFCCCC=CC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C23H26ClF/c24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-1-3-17-25/h2,4,9-16,18-19H,1,3,5-8,17H2
InChIKeyVCSMPFIESWPBFY-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.91
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene
CID 19695361
1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
CID 54322321
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
ethyl-[4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]phenyl]silane
CID 154332836
1-chloro-4-[4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]cyclohexyl]benzene
CID 139629318
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437
2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19695440
1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
CID 19097942
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134
1,2,3-trifluoro-5-[4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695249
4-[4-(4-chlorophenyl)cyclohexyl]but-3-enoic acid
CID 67844193
1-[4-[2-[4-[(E)-6-fluorohex-1-enyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695491

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene (CID 54385187) is 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene is FCCCC=CC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene?
The InChIKey is VCSMPFIESWPBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF/c24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-1-3-17-25/h2,4,9-16,18-19H,1,3,5-8,17H2.
What are the key properties of 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene?
1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene has a molecular weight of 356.91 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 54385187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).