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

C23H21ClF2 — CID 12010660

IUPAC1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1
InChIInChI=1S/C23H21ClF2/c1-2-3-4-5-16-6-12-21(22(25)14-16)18-9-13-20(23(26)15-18)17-7-10-19(24)11-8-17/h6-15H,2-5H2,1H3
InChIKeyGJGMXIJBNVQVSG-UHFFFAOYSA-N
MW370.87 g/mol
LogP7.68
Rot. Bonds6

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

1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene (PubChem CID 12010660) has the molecular formula C23H21ClF2 and a molecular weight of 370.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene
PubChem CID12010660
Molecular FormulaC23H21ClF2
Molecular Weight370.87 g/mol
Exact Mass370.13
IUPAC Name1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1
InChIInChI=1S/C23H21ClF2/c1-2-3-4-5-16-6-12-21(22(25)14-16)18-9-13-20(23(26)15-18)17-7-10-19(24)11-8-17/h6-15H,2-5H2,1H3
InChIKeyGJGMXIJBNVQVSG-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.87
LogP ≤ 57.68
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 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene?
The IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene (CID 12010660) is 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene?
The canonical SMILES for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene?
The InChIKey is GJGMXIJBNVQVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2/c1-2-3-4-5-16-6-12-21(22(25)14-16)18-9-13-20(23(26)15-18)17-7-10-19(24)11-8-17/h6-15H,2-5H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene?
1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene has a molecular weight of 370.87 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-pentylphenyl)benzene is sourced from PubChem (CID 12010660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).