1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene

C18H11BrClF — CID 56974432

IUPAC1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cccc(Br)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H11BrClF/c19-17-3-1-2-16(12-6-10-15(21)11-7-12)18(17)13-4-8-14(20)9-5-13/h1-11H
InChIKeyABOSYEXACHTHJE-UHFFFAOYSA-N
MW361.64 g/mol
LogP6.58
Rot. Bonds2

About 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene

1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene (PubChem CID 56974432) has the molecular formula C18H11BrClF and a molecular weight of 361.64 g/mol. Its IUPAC name is 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene
PubChem CID56974432
Molecular FormulaC18H11BrClF
Molecular Weight361.64 g/mol
Exact Mass359.97
IUPAC Name1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cccc(Br)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H11BrClF/c19-17-3-1-2-16(12-6-10-15(21)11-7-12)18(17)13-4-8-14(20)9-5-13/h1-11H
InChIKeyABOSYEXACHTHJE-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.64
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromo-4'-chloro-1,1'-biphenyl
CID 12939405
1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
1,5-Dibromo-2,4-bis(4-chloro-2-fluorophenyl)benzene
CID 154709388
1,4-Dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
CID 154709389
2,7-Dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
CID 154709390
1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene
CID 154711493
2-bromo-1-chloro-4-[(S)-fluoro(phenyl)methyl]benzene
CID 155929235
3-Bromo-4'-chloro-biphenyl
CID 2756874
1,1'-[(2-Bromophenyl)(chloro)methylene]dibenzene
CID 15938887
2-Bromo-3-(4-chlorophenyl)naphthalene
CID 134947736

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene?
The IUPAC name of 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene (CID 56974432) is 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene?
The canonical SMILES for 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene is Fc1ccc(-c2cccc(Br)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene?
The InChIKey is ABOSYEXACHTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClF/c19-17-3-1-2-16(12-6-10-15(21)11-7-12)18(17)13-4-8-14(20)9-5-13/h1-11H.
What are the key properties of 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene?
1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene has a molecular weight of 361.64 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene is sourced from PubChem (CID 56974432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).