2,4-difluorobenzoyl bromide

C7H3BrF2O — CID 87349807

IUPAC2,4-difluorobenzoyl bromide
SMILESO=C(Br)c1ccc(F)cc1F
InChIInChI=1S/C7H3BrF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H
InChIKeyOEIBLPYWNAEAAP-UHFFFAOYSA-N
MW221.00 g/mol
LogP2.50
Rot. Bonds1

About 2,4-difluorobenzoyl bromide

2,4-difluorobenzoyl bromide (PubChem CID 87349807) has the molecular formula C7H3BrF2O and a molecular weight of 221.00 g/mol. Its IUPAC name is 2,4-difluorobenzoyl bromide.

Molecular Properties

Compound Name2,4-difluorobenzoyl bromide
PubChem CID87349807
Molecular FormulaC7H3BrF2O
Molecular Weight221.00 g/mol
Exact Mass219.93
IUPAC Name2,4-difluorobenzoyl bromide
SMILESO=C(Br)c1ccc(F)cc1F
InChIInChI=1S/C7H3BrF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H
InChIKeyOEIBLPYWNAEAAP-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
2,4-difluorobenzamide;dihydrochloride
CID 22032026
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanone
CID 43462664
2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
CID 130136876
2-(2,4-difluorobenzoyl)propanedioic acid
CID 19379743
2-(2,4-difluorobenzoyl)propanedioate
CID 19379742
carbamoyl 2,4-difluorobenzoate
CID 21202786
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorobenzoyl bromide?
The IUPAC name of 2,4-difluorobenzoyl bromide (CID 87349807) is 2,4-difluorobenzoyl bromide.
What is the SMILES notation for 2,4-difluorobenzoyl bromide?
The canonical SMILES for 2,4-difluorobenzoyl bromide is O=C(Br)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluorobenzoyl bromide?
The InChIKey is OEIBLPYWNAEAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H.
What are the key properties of 2,4-difluorobenzoyl bromide?
2,4-difluorobenzoyl bromide has a molecular weight of 221.00 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorobenzoyl bromide is sourced from PubChem (CID 87349807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).