3-bromo-2,6-difluorobenzoyl chloride

C7H2BrClF2O — CID 51000132

IUPAC3-bromo-2,6-difluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)ccc(Br)c1F
InChIInChI=1S/C7H2BrClF2O/c8-3-1-2-4(10)5(6(3)11)7(9)12/h1-2H
InChIKeyOYEKTFNTUYRFBD-UHFFFAOYSA-N
MW255.44 g/mol
LogP3.11
Rot. Bonds1

About 3-bromo-2,6-difluorobenzoyl chloride

3-bromo-2,6-difluorobenzoyl chloride (PubChem CID 51000132) has the molecular formula C7H2BrClF2O and a molecular weight of 255.44 g/mol. Its IUPAC name is 3-bromo-2,6-difluorobenzoyl chloride.

Molecular Properties

Compound Name3-bromo-2,6-difluorobenzoyl chloride
PubChem CID51000132
Molecular FormulaC7H2BrClF2O
Molecular Weight255.44 g/mol
Exact Mass253.89
IUPAC Name3-bromo-2,6-difluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)ccc(Br)c1F
InChIInChI=1S/C7H2BrClF2O/c8-3-1-2-4(10)5(6(3)11)7(9)12/h1-2H
InChIKeyOYEKTFNTUYRFBD-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-chloro-3-fluorobenzoyl chloride
CID 129080978
6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
1-(3-bromo-2,6-difluorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 106941912
azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone
CID 106944077
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 106941718
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
3,6-dibromo-2-fluorobenzamide
CID 121228046
3-bromo-6-fluorophthalic acid
CID 164890532

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-difluorobenzoyl chloride?
The IUPAC name of 3-bromo-2,6-difluorobenzoyl chloride (CID 51000132) is 3-bromo-2,6-difluorobenzoyl chloride.
What is the SMILES notation for 3-bromo-2,6-difluorobenzoyl chloride?
The canonical SMILES for 3-bromo-2,6-difluorobenzoyl chloride is O=C(Cl)c1c(F)ccc(Br)c1F.
What is the InChIKey of 3-bromo-2,6-difluorobenzoyl chloride?
The InChIKey is OYEKTFNTUYRFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2O/c8-3-1-2-4(10)5(6(3)11)7(9)12/h1-2H.
What are the key properties of 3-bromo-2,6-difluorobenzoyl chloride?
3-bromo-2,6-difluorobenzoyl chloride has a molecular weight of 255.44 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-difluorobenzoyl chloride is sourced from PubChem (CID 51000132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).