1-(3-bromophenyl)-2,2-difluoroethanone

C8H5BrF2O — CID 86650253

IUPAC1-(3-bromophenyl)-2,2-difluoroethanone
SMILESO=C(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C8H5BrF2O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,8H
InChIKeyHZELFBPCXLKNMP-UHFFFAOYSA-N
MW235.03 g/mol
LogP2.90
Rot. Bonds2

About 1-(3-bromophenyl)-2,2-difluoroethanone

1-(3-bromophenyl)-2,2-difluoroethanone (PubChem CID 86650253) has the molecular formula C8H5BrF2O and a molecular weight of 235.03 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,2-difluoroethanone
PubChem CID86650253
Molecular FormulaC8H5BrF2O
Molecular Weight235.03 g/mol
Exact Mass233.95
IUPAC Name1-(3-bromophenyl)-2,2-difluoroethanone
SMILESO=C(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C8H5BrF2O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,8H
InChIKeyHZELFBPCXLKNMP-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2,2-dichloroethanone
CID 15937137
4-(3-bromophenyl)-2,3-dimethyl-4-oxobutanoic acid
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[1-(3-bromophenyl)-2,2-difluoroethylidene]carbamic acid
CID 150582238
1-(3-bromophenyl)-2-(hydroxymethyl)butan-1-one
CID 116923114
3-(3-bromophenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924246
3-bromobenzoic acid;ethane
CID 143530590
3-(3-bromophenyl)-2-methyl-3-oxopropanoic acid;propanoic acid
CID 174490761
N-benzoyl-3-bromobenzamide
CID 118577200
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
1-(3-bromophenyl)-4,4-dimethoxy-2-methylbutane-1,3-dione
CID 114079049
(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
CID 125475811
1-(3-bromophenyl)-2-(1H-pyrrol-3-yl)ethane-1,2-dione
CID 59772668

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(3-bromophenyl)-2,2-difluoroethanone (CID 86650253) is 1-(3-bromophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(3-bromophenyl)-2,2-difluoroethanone is O=C(c1cccc(Br)c1)C(F)F.
What is the InChIKey of 1-(3-bromophenyl)-2,2-difluoroethanone?
The InChIKey is HZELFBPCXLKNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,8H.
What are the key properties of 1-(3-bromophenyl)-2,2-difluoroethanone?
1-(3-bromophenyl)-2,2-difluoroethanone has a molecular weight of 235.03 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 86650253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).