2-bromo-4-(2-chlorophenyl)-1-fluorobenzene

C12H7BrClF — CID 115052282

IUPAC2-bromo-4-(2-chlorophenyl)-1-fluorobenzene
SMILESFc1ccc(-c2ccccc2Cl)cc1Br
InChIInChI=1S/C12H7BrClF/c13-10-7-8(5-6-12(10)15)9-3-1-2-4-11(9)14/h1-7H
InChIKeyPKNQWKVPPONXQM-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds1

About 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene

2-bromo-4-(2-chlorophenyl)-1-fluorobenzene (PubChem CID 115052282) has the molecular formula C12H7BrClF and a molecular weight of 285.54 g/mol. Its IUPAC name is 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(2-chlorophenyl)-1-fluorobenzene
PubChem CID115052282
Molecular FormulaC12H7BrClF
Molecular Weight285.54 g/mol
Exact Mass283.94
IUPAC Name2-bromo-4-(2-chlorophenyl)-1-fluorobenzene
SMILESFc1ccc(-c2ccccc2Cl)cc1Br
InChIInChI=1S/C12H7BrClF/c13-10-7-8(5-6-12(10)15)9-3-1-2-4-11(9)14/h1-7H
InChIKeyPKNQWKVPPONXQM-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-2'-chloro-1,1'-biphenyl
CID 13614018
4-Bromo-4'-chloro-1,1'-biphenyl
CID 2756876
2-Chloro-4'-fluoro-1,1'-biphenyl
CID 13270629
1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
1-Bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
3-Bromo-4'-fluorobiphenyl
CID 2756977
3-Bromo-4-Fluorobiphenyl
CID 2773367
3-Bromo-6-chloro-4-fluoro-toluene
CID 11009587
3-Bromo-5-chlorobiphenyl
CID 14452541
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620
4-Bromo-1-chloro-2-(difluoromethyl)benzene
CID 22240280

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene (CID 115052282) is 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene is Fc1ccc(-c2ccccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene?
The InChIKey is PKNQWKVPPONXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF/c13-10-7-8(5-6-12(10)15)9-3-1-2-4-11(9)14/h1-7H.
What are the key properties of 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene?
2-bromo-4-(2-chlorophenyl)-1-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 2-bromo-4-(2-chlorophenyl)-1-fluorobenzene is sourced from PubChem (CID 115052282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).