3-bromo-2-(difluoromethyl)benzoyl bromide

C8H4Br2F2O — CID 88710629

IUPAC3-bromo-2-(difluoromethyl)benzoyl bromide
SMILESO=C(Br)c1cccc(Br)c1C(F)F
InChIInChI=1S/C8H4Br2F2O/c9-5-3-1-2-4(7(10)13)6(5)8(11)12/h1-3,8H
InChIKeyMZLZWXVZMBEVTO-UHFFFAOYSA-N
MW313.92 g/mol
LogP3.92
Rot. Bonds2

About 3-bromo-2-(difluoromethyl)benzoyl bromide

3-bromo-2-(difluoromethyl)benzoyl bromide (PubChem CID 88710629) has the molecular formula C8H4Br2F2O and a molecular weight of 313.92 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)benzoyl bromide.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)benzoyl bromide
PubChem CID88710629
Molecular FormulaC8H4Br2F2O
Molecular Weight313.92 g/mol
Exact Mass311.86
IUPAC Name3-bromo-2-(difluoromethyl)benzoyl bromide
SMILESO=C(Br)c1cccc(Br)c1C(F)F
InChIInChI=1S/C8H4Br2F2O/c9-5-3-1-2-4(7(10)13)6(5)8(11)12/h1-3,8H
InChIKeyMZLZWXVZMBEVTO-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 53.92
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

1-bromo-2-(difluoromethyl)-3-methylbenzene
CID 84686328
2,3-difluorobenzoyl bromide
CID 91168195
2,3-dihydroxybenzoyl bromide
CID 141115203
3-bromo-2-(1-chloro-2-oxopropyl)benzoic acid
CID 131376598
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
2-(2-carbonobromidoylbenzoyl)benzoyl bromide
CID 19862066
1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
CID 162354712
6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde
CID 171001474
3-bromo-2-(2,2,3,3-tetrafluoropropanoylamino)benzoic acid
CID 114032490
1-[3-bromo-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 131572163
1-[3-bromo-2-(difluoromethyl)-6-methylphenyl]ethanone
CID 131329067

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)benzoyl bromide?
The IUPAC name of 3-bromo-2-(difluoromethyl)benzoyl bromide (CID 88710629) is 3-bromo-2-(difluoromethyl)benzoyl bromide.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)benzoyl bromide?
The canonical SMILES for 3-bromo-2-(difluoromethyl)benzoyl bromide is O=C(Br)c1cccc(Br)c1C(F)F.
What is the InChIKey of 3-bromo-2-(difluoromethyl)benzoyl bromide?
The InChIKey is MZLZWXVZMBEVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2O/c9-5-3-1-2-4(7(10)13)6(5)8(11)12/h1-3,8H.
What are the key properties of 3-bromo-2-(difluoromethyl)benzoyl bromide?
3-bromo-2-(difluoromethyl)benzoyl bromide has a molecular weight of 313.92 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)benzoyl bromide is sourced from PubChem (CID 88710629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).