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

C12H8BrF — CID 2756977

IUPAC1-bromo-3-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cccc(Br)c2)cc1
InChIInChI=1S/C12H8BrF/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H
InChIKeyQATHBEJSFHQDCO-UHFFFAOYSA-N
MW251.10 g/mol
LogP4.26
Rot. Bonds1

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

1-bromo-3-(4-fluorophenyl)benzene (PubChem CID 2756977) has the molecular formula C12H8BrF and a molecular weight of 251.10 g/mol. Its IUPAC name is 1-bromo-3-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(4-fluorophenyl)benzene
PubChem CID2756977
Molecular FormulaC12H8BrF
Molecular Weight251.10 g/mol
Exact Mass249.98
IUPAC Name1-bromo-3-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cccc(Br)c2)cc1
InChIInChI=1S/C12H8BrF/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H
InChIKeyQATHBEJSFHQDCO-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-fluorophenyl)benzene?
The IUPAC name of 1-bromo-3-(4-fluorophenyl)benzene (CID 2756977) is 1-bromo-3-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-bromo-3-(4-fluorophenyl)benzene?
The canonical SMILES for 1-bromo-3-(4-fluorophenyl)benzene is Fc1ccc(-c2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-(4-fluorophenyl)benzene?
The InChIKey is QATHBEJSFHQDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H.
What are the key properties of 1-bromo-3-(4-fluorophenyl)benzene?
1-bromo-3-(4-fluorophenyl)benzene has a molecular weight of 251.10 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-fluorophenyl)benzene is sourced from PubChem (CID 2756977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).