(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone

C13H6BrF3O — CID 43160008

IUPAC(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)c1ccc(F)cc1Br
InChIInChI=1S/C13H6BrF3O/c14-11-5-7(15)1-3-9(11)13(18)10-4-2-8(16)6-12(10)17/h1-6H
InChIKeyMOMQLWZCYJLOJE-UHFFFAOYSA-N
MW315.09 g/mol
LogP4.10
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone

(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone (PubChem CID 43160008) has the molecular formula C13H6BrF3O and a molecular weight of 315.09 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
PubChem CID43160008
Molecular FormulaC13H6BrF3O
Molecular Weight315.09 g/mol
Exact Mass313.96
IUPAC Name(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)c1ccc(F)cc1Br
InChIInChI=1S/C13H6BrF3O/c14-11-5-7(15)1-3-9(11)13(18)10-4-2-8(16)6-12(10)17/h1-6H
InChIKeyMOMQLWZCYJLOJE-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
CID 142346677
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
2,4-difluorobenzoyl bromide
CID 87349807
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
2-bromo-4,5-difluorobenzoic acid;2-bromo-4-fluorobenzoic acid
CID 175275604

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone (CID 43160008) is (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone?
The InChIKey is MOMQLWZCYJLOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3O/c14-11-5-7(15)1-3-9(11)13(18)10-4-2-8(16)6-12(10)17/h1-6H.
What are the key properties of (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone?
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone has a molecular weight of 315.09 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 43160008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).