1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one

C9H6BrF3O — CID 148880045

IUPAC1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H6BrF3O/c1-9(12,13)8(14)6-3-2-5(10)4-7(6)11/h2-4H,1H3
InChIKeyPCWKGHJWBYGGLY-UHFFFAOYSA-N
MW267.04 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one

1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one (PubChem CID 148880045) has the molecular formula C9H6BrF3O and a molecular weight of 267.04 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
PubChem CID148880045
Molecular FormulaC9H6BrF3O
Molecular Weight267.04 g/mol
Exact Mass265.96
IUPAC Name1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H6BrF3O/c1-9(12,13)8(14)6-3-2-5(10)4-7(6)11/h2-4H,1H3
InChIKeyPCWKGHJWBYGGLY-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
CID 126982063
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
1-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 114905791
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-amino-1-(5-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 116916389
2-[(4-bromo-2-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62817323
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one (CID 148880045) is 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one is CC(F)(F)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one?
The InChIKey is PCWKGHJWBYGGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O/c1-9(12,13)8(14)6-3-2-5(10)4-7(6)11/h2-4H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one?
1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one has a molecular weight of 267.04 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 148880045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).