2,2,2-tribromoacetyl chloride

C2Br3ClO — CID 599146

IUPAC2,2,2-tribromoacetyl chloride
SMILESO=C(Cl)C(Br)(Br)Br
InChIInChI=1S/C2Br3ClO/c3-2(4,5)1(6)7
InChIKeyRDBMNMVDVKRYKW-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.59
Rot. Bonds

About 2,2,2-tribromoacetyl chloride

2,2,2-tribromoacetyl chloride (PubChem CID 599146) has the molecular formula C2Br3ClO and a molecular weight of 315.19 g/mol. Its IUPAC name is 2,2,2-tribromoacetyl chloride.

Molecular Properties

Compound Name2,2,2-tribromoacetyl chloride
PubChem CID599146
Molecular FormulaC2Br3ClO
Molecular Weight315.19 g/mol
Exact Mass311.72
IUPAC Name2,2,2-tribromoacetyl chloride
SMILESO=C(Cl)C(Br)(Br)Br
InChIInChI=1S/C2Br3ClO/c3-2(4,5)1(6)7
InChIKeyRDBMNMVDVKRYKW-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromoacetyl chloride?
The IUPAC name of 2,2,2-tribromoacetyl chloride (CID 599146) is 2,2,2-tribromoacetyl chloride.
What is the SMILES notation for 2,2,2-tribromoacetyl chloride?
The canonical SMILES for 2,2,2-tribromoacetyl chloride is O=C(Cl)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromoacetyl chloride?
The InChIKey is RDBMNMVDVKRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Br3ClO/c3-2(4,5)1(6)7.
What are the key properties of 2,2,2-tribromoacetyl chloride?
2,2,2-tribromoacetyl chloride has a molecular weight of 315.19 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromoacetyl chloride is sourced from PubChem (CID 599146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).