1-(2-bromophenyl)-4-chloro-2-fluorobenzene

C12H7BrClF — CID 134938972

IUPAC1-(2-bromophenyl)-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1-c1ccccc1Br
InChIInChI=1S/C12H7BrClF/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-7H
InChIKeyQDFYLNYZPXPYNG-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds1

About 1-(2-bromophenyl)-4-chloro-2-fluorobenzene

1-(2-bromophenyl)-4-chloro-2-fluorobenzene (PubChem CID 134938972) has the molecular formula C12H7BrClF and a molecular weight of 285.54 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-chloro-2-fluorobenzene
PubChem CID134938972
Molecular FormulaC12H7BrClF
Molecular Weight285.54 g/mol
Exact Mass283.94
IUPAC Name1-(2-bromophenyl)-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1-c1ccccc1Br
InChIInChI=1S/C12H7BrClF/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-7H
InChIKeyQDFYLNYZPXPYNG-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

2-Bromo-4'-chloro-1,1'-biphenyl
CID 12939405
2-Bromo-4-chloro-1-(1-methylethyl)benzene
CID 67988282
2-Bromo-2'-chloro-1,1'-biphenyl
CID 13614018
4-Bromo-4'-chloro-1,1'-biphenyl
CID 2756876
Benzene, 1,1'-(bromomethylene)bis(4chloro-
CID 95197
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620
2-Bromo-4-chloro-1-ethenylbenzene
CID 59327259
2-Bromo-4-chloro-1-(difluoromethyl)benzene
CID 66744942
4-(1-Bromoethyl)-1-chloro-2-fluorobenzene
CID 130139979
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
1,1'-Biphenyl, 4'-chloro-3-fluoro-
CID 2757547

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-chloro-2-fluorobenzene?
The IUPAC name of 1-(2-bromophenyl)-4-chloro-2-fluorobenzene (CID 134938972) is 1-(2-bromophenyl)-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(2-bromophenyl)-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-(2-bromophenyl)-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-4-chloro-2-fluorobenzene?
The InChIKey is QDFYLNYZPXPYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-7H.
What are the key properties of 1-(2-bromophenyl)-4-chloro-2-fluorobenzene?
1-(2-bromophenyl)-4-chloro-2-fluorobenzene 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 1-(2-bromophenyl)-4-chloro-2-fluorobenzene is sourced from PubChem (CID 134938972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).