2-bromo-4-chloro-1-(4-fluorophenyl)benzene

C12H7BrClF — CID 168802728

IUPAC2-bromo-4-chloro-1-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C12H7BrClF/c13-12-7-9(14)3-6-11(12)8-1-4-10(15)5-2-8/h1-7H
InChIKeyYSYBPPXSPPBTGX-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds1

About 2-bromo-4-chloro-1-(4-fluorophenyl)benzene

2-bromo-4-chloro-1-(4-fluorophenyl)benzene (PubChem CID 168802728) has the molecular formula C12H7BrClF and a molecular weight of 285.54 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(4-fluorophenyl)benzene
PubChem CID168802728
Molecular FormulaC12H7BrClF
Molecular Weight285.54 g/mol
Exact Mass283.94
IUPAC Name2-bromo-4-chloro-1-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C12H7BrClF/c13-12-7-9(14)3-6-11(12)8-1-4-10(15)5-2-8/h1-7H
InChIKeyYSYBPPXSPPBTGX-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
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2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
CID 170343063
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline
CID 71060075
(2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene
CID 70902384
4-chloro-2-(4-fluorophenyl)benzenesulfinate
CID 174402834
3-chloro-4-(4-fluorophenyl)phenol
CID 46314342
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine
CID 151865792
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(4-fluorophenyl)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(4-fluorophenyl)benzene (CID 168802728) is 2-bromo-4-chloro-1-(4-fluorophenyl)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(4-fluorophenyl)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(4-fluorophenyl)benzene is Fc1ccc(-c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-chloro-1-(4-fluorophenyl)benzene?
The InChIKey is YSYBPPXSPPBTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF/c13-12-7-9(14)3-6-11(12)8-1-4-10(15)5-2-8/h1-7H.
What are the key properties of 2-bromo-4-chloro-1-(4-fluorophenyl)benzene?
2-bromo-4-chloro-1-(4-fluorophenyl)benzene has a molecular weight of 285.54 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(4-fluorophenyl)benzene is sourced from PubChem (CID 168802728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).