2,3-difluorobenzoyl bromide

C7H3BrF2O — CID 91168195

IUPAC2,3-difluorobenzoyl bromide
SMILESO=C(Br)c1cccc(F)c1F
InChIInChI=1S/C7H3BrF2O/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3H
InChIKeyPWAZQCSGBUSHPJ-UHFFFAOYSA-N
MW221.00 g/mol
LogP2.50
Rot. Bonds1

About 2,3-difluorobenzoyl bromide

2,3-difluorobenzoyl bromide (PubChem CID 91168195) has the molecular formula C7H3BrF2O and a molecular weight of 221.00 g/mol. Its IUPAC name is 2,3-difluorobenzoyl bromide.

Molecular Properties

Compound Name2,3-difluorobenzoyl bromide
PubChem CID91168195
Molecular FormulaC7H3BrF2O
Molecular Weight221.00 g/mol
Exact Mass219.93
IUPAC Name2,3-difluorobenzoyl bromide
SMILESO=C(Br)c1cccc(F)c1F
InChIInChI=1S/C7H3BrF2O/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3H
InChIKeyPWAZQCSGBUSHPJ-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

N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
acetyl 2,3-difluorobenzoate
CID 150014142
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996630
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
benzyl 2,3-difluorobenzoate
CID 62867579
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
N-(difluorocarbamoyl)-N,2,3-trifluorobenzamide
CID 87474949
ethyl 2,3-difluorobenzoate
CID 2761174

Frequently Asked Questions

What is the IUPAC name of 2,3-difluorobenzoyl bromide?
The IUPAC name of 2,3-difluorobenzoyl bromide (CID 91168195) is 2,3-difluorobenzoyl bromide.
What is the SMILES notation for 2,3-difluorobenzoyl bromide?
The canonical SMILES for 2,3-difluorobenzoyl bromide is O=C(Br)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluorobenzoyl bromide?
The InChIKey is PWAZQCSGBUSHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2O/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3H.
What are the key properties of 2,3-difluorobenzoyl bromide?
2,3-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 2,3-difluorobenzoyl bromide is sourced from PubChem (CID 91168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).