(4-bromo-2-fluorophenyl)-phenylmethanone

C13H8BrFO — CID 11150151

IUPAC(4-bromo-2-fluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrFO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyNEQRGFYWKQXNBT-UHFFFAOYSA-N
MW279.11 g/mol
LogP3.82
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-phenylmethanone

(4-bromo-2-fluorophenyl)-phenylmethanone (PubChem CID 11150151) has the molecular formula C13H8BrFO and a molecular weight of 279.11 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-phenylmethanone
PubChem CID11150151
Molecular FormulaC13H8BrFO
Molecular Weight279.11 g/mol
Exact Mass277.97
IUPAC Name(4-bromo-2-fluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrFO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyNEQRGFYWKQXNBT-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-phenylmethanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-phenylmethanone (CID 11150151) is (4-bromo-2-fluorophenyl)-phenylmethanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-phenylmethanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-phenylmethanone?
The InChIKey is NEQRGFYWKQXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H.
What are the key properties of (4-bromo-2-fluorophenyl)-phenylmethanone?
(4-bromo-2-fluorophenyl)-phenylmethanone has a molecular weight of 279.11 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-phenylmethanone is sourced from PubChem (CID 11150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).