2,3-dibromoprop-2-enoyl chloride

C3HBr2ClO — CID 54531182

IUPAC2,3-dibromoprop-2-enoyl chloride
SMILESO=C(Cl)C(Br)=CBr
InChIInChI=1S/C3HBr2ClO/c4-1-2(5)3(6)7/h1H
InChIKeyYWQZLSJZKXNECC-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.38
Rot. Bonds1

About 2,3-dibromoprop-2-enoyl chloride

2,3-dibromoprop-2-enoyl chloride (PubChem CID 54531182) has the molecular formula C3HBr2ClO and a molecular weight of 248.30 g/mol. Its IUPAC name is 2,3-dibromoprop-2-enoyl chloride.

Molecular Properties

Compound Name2,3-dibromoprop-2-enoyl chloride
PubChem CID54531182
Molecular FormulaC3HBr2ClO
Molecular Weight248.30 g/mol
Exact Mass245.81
IUPAC Name2,3-dibromoprop-2-enoyl chloride
SMILESO=C(Cl)C(Br)=CBr
InChIInChI=1S/C3HBr2ClO/c4-1-2(5)3(6)7/h1H
InChIKeyYWQZLSJZKXNECC-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3-dibromoprop-2-enoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4-tribromo-1-chlorobut-3-en-2-one
CID 74051968
(Z)-1,3,4-tribromobut-3-en-2-one
CID 23426736
1,3,4-tribromobut-3-en-2-one
CID 74051970
2-bromo-1,1-dichloroethene;hydrochloride
CID 174707221
(E)-1-bromo-1,2-dichloroethene
CID 15120764
2-iodo-2-oxoacetyl chloride
CID 88586713
2-bromo-3-iodoprop-2-enoic acid
CID 54348536
argon;oxalyl dichloride
CID 87589322
(E)-1-chloro-1,2-diiodoethene
CID 87733481
CID 158920059
CID 158920059
2-oxopent-3-enoyl chloride
CID 85365025
3-bromo-2-oxopropanoyl chloride
CID 54361054

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromoprop-2-enoyl chloride?
The IUPAC name of 2,3-dibromoprop-2-enoyl chloride (CID 54531182) is 2,3-dibromoprop-2-enoyl chloride.
What is the SMILES notation for 2,3-dibromoprop-2-enoyl chloride?
The canonical SMILES for 2,3-dibromoprop-2-enoyl chloride is O=C(Cl)C(Br)=CBr.
What is the InChIKey of 2,3-dibromoprop-2-enoyl chloride?
The InChIKey is YWQZLSJZKXNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr2ClO/c4-1-2(5)3(6)7/h1H.
What are the key properties of 2,3-dibromoprop-2-enoyl chloride?
2,3-dibromoprop-2-enoyl chloride has a molecular weight of 248.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromoprop-2-enoyl chloride is sourced from PubChem (CID 54531182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).