4-bromo-2-fluoro-1-phenylbenzene

C12H8BrF — CID 521063

IUPAC4-bromo-2-fluoro-1-phenylbenzene
SMILESFc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyHTRNHWBOBYFTQF-UHFFFAOYSA-N
MW251.10 g/mol
LogP4.26
Rot. Bonds1

About 4-bromo-2-fluoro-1-phenylbenzene

4-bromo-2-fluoro-1-phenylbenzene (PubChem CID 521063) has the molecular formula C12H8BrF and a molecular weight of 251.10 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-phenylbenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-phenylbenzene
PubChem CID521063
Molecular FormulaC12H8BrF
Molecular Weight251.10 g/mol
Exact Mass249.98
IUPAC Name4-bromo-2-fluoro-1-phenylbenzene
SMILESFc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyHTRNHWBOBYFTQF-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

Analyze 4-bromo-2-fluoro-1-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-phenylbenzene?
The IUPAC name of 4-bromo-2-fluoro-1-phenylbenzene (CID 521063) is 4-bromo-2-fluoro-1-phenylbenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-phenylbenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-phenylbenzene is Fc1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 4-bromo-2-fluoro-1-phenylbenzene?
The InChIKey is HTRNHWBOBYFTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-bromo-2-fluoro-1-phenylbenzene?
4-bromo-2-fluoro-1-phenylbenzene 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 4-bromo-2-fluoro-1-phenylbenzene is sourced from PubChem (CID 521063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).