1-bromo-2-fluoro-4-phenylbenzene

C12H8BrF — CID 11715782

IUPAC1-bromo-2-fluoro-4-phenylbenzene
SMILESFc1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C12H8BrF/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H
InChIKeyQSVXXQNLMJMOPL-UHFFFAOYSA-N
MW251.10 g/mol
LogP4.26
Rot. Bonds1

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

1-bromo-2-fluoro-4-phenylbenzene (PubChem CID 11715782) has the molecular formula C12H8BrF and a molecular weight of 251.10 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-phenylbenzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-phenylbenzene
PubChem CID11715782
Molecular FormulaC12H8BrF
Molecular Weight251.10 g/mol
Exact Mass249.98
IUPAC Name1-bromo-2-fluoro-4-phenylbenzene
SMILESFc1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C12H8BrF/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H
InChIKeyQSVXXQNLMJMOPL-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-2-fluoro-4-phenylbenzene?
The IUPAC name of 1-bromo-2-fluoro-4-phenylbenzene (CID 11715782) is 1-bromo-2-fluoro-4-phenylbenzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-phenylbenzene?
The canonical SMILES for 1-bromo-2-fluoro-4-phenylbenzene is Fc1cc(-c2ccccc2)ccc1Br.
What is the InChIKey of 1-bromo-2-fluoro-4-phenylbenzene?
The InChIKey is QSVXXQNLMJMOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-bromo-2-fluoro-4-phenylbenzene?
1-bromo-2-fluoro-4-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 1-bromo-2-fluoro-4-phenylbenzene is sourced from PubChem (CID 11715782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).