4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene

C24H24ClF — CID 23391197

IUPAC4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1
InChIInChI=1S/C24H24ClF/c1-2-3-4-5-6-18-7-9-20(10-8-18)23-16-13-21(17-24(23)26)19-11-14-22(25)15-12-19/h7-17H,2-6H2,1H3
InChIKeyRBOVYDXSFLMWTA-UHFFFAOYSA-N
MW366.91 g/mol
LogP7.94
Rot. Bonds7

About 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene

4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene (PubChem CID 23391197) has the molecular formula C24H24ClF and a molecular weight of 366.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene
PubChem CID23391197
Molecular FormulaC24H24ClF
Molecular Weight366.91 g/mol
Exact Mass366.16
IUPAC Name4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1
InChIInChI=1S/C24H24ClF/c1-2-3-4-5-6-18-7-9-20(10-8-18)23-16-13-21(17-24(23)26)19-11-14-22(25)15-12-19/h7-17H,2-6H2,1H3
InChIKeyRBOVYDXSFLMWTA-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.91
LogP ≤ 57.94
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene?
The IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene (CID 23391197) is 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene.
What is the SMILES notation for 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene?
The canonical SMILES for 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene is CCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene?
The InChIKey is RBOVYDXSFLMWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF/c1-2-3-4-5-6-18-7-9-20(10-8-18)23-16-13-21(17-24(23)26)19-11-14-22(25)15-12-19/h7-17H,2-6H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene?
4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene has a molecular weight of 366.91 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-fluoro-1-(4-hexylphenyl)benzene is sourced from PubChem (CID 23391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).