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

C12H7BrClF — CID 118058206

IUPAC4-bromo-1-chloro-2-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C12H7BrClF/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h1-7H
InChIKeyCOOOSXCEQRNDOL-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds1

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

4-bromo-1-chloro-2-(4-fluorophenyl)benzene (PubChem CID 118058206) has the molecular formula C12H7BrClF and a molecular weight of 285.54 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(4-fluorophenyl)benzene
PubChem CID118058206
Molecular FormulaC12H7BrClF
Molecular Weight285.54 g/mol
Exact Mass283.94
IUPAC Name4-bromo-1-chloro-2-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C12H7BrClF/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h1-7H
InChIKeyCOOOSXCEQRNDOL-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-(4-fluorophenyl)benzene?
The IUPAC name of 4-bromo-1-chloro-2-(4-fluorophenyl)benzene (CID 118058206) is 4-bromo-1-chloro-2-(4-fluorophenyl)benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-(4-fluorophenyl)benzene?
The canonical SMILES for 4-bromo-1-chloro-2-(4-fluorophenyl)benzene is Fc1ccc(-c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 4-bromo-1-chloro-2-(4-fluorophenyl)benzene?
The InChIKey is COOOSXCEQRNDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h1-7H.
What are the key properties of 4-bromo-1-chloro-2-(4-fluorophenyl)benzene?
4-bromo-1-chloro-2-(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 4-bromo-1-chloro-2-(4-fluorophenyl)benzene is sourced from PubChem (CID 118058206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).