2-bromo-1-fluoro-4-phenylbenzene

C12H8BrF — CID 2773367

IUPAC2-bromo-1-fluoro-4-phenylbenzene
SMILESFc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H8BrF/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8H
InChIKeyCOWXPZSVUXHAFS-UHFFFAOYSA-N
MW251.10 g/mol
LogP4.26
Rot. Bonds1

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

2-bromo-1-fluoro-4-phenylbenzene (PubChem CID 2773367) has the molecular formula C12H8BrF and a molecular weight of 251.10 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-phenylbenzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-phenylbenzene
PubChem CID2773367
Molecular FormulaC12H8BrF
Molecular Weight251.10 g/mol
Exact Mass249.98
IUPAC Name2-bromo-1-fluoro-4-phenylbenzene
SMILESFc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C12H8BrF/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8H
InChIKeyCOWXPZSVUXHAFS-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 2-bromo-1-fluoro-4-phenylbenzene?
The IUPAC name of 2-bromo-1-fluoro-4-phenylbenzene (CID 2773367) is 2-bromo-1-fluoro-4-phenylbenzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-phenylbenzene?
The canonical SMILES for 2-bromo-1-fluoro-4-phenylbenzene is Fc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-1-fluoro-4-phenylbenzene?
The InChIKey is COWXPZSVUXHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-bromo-1-fluoro-4-phenylbenzene?
2-bromo-1-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 2-bromo-1-fluoro-4-phenylbenzene is sourced from PubChem (CID 2773367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).