4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride

C10H6Cl4O — CID 71409950

IUPAC4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(CC(Cl)=C(Cl)Cl)cc1
InChIInChI=1S/C10H6Cl4O/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4H,5H2
InChIKeyGQDKJUPKKDSXJE-UHFFFAOYSA-N
MW283.97 g/mol
LogP4.49
Rot. Bonds3

About 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride

4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride (PubChem CID 71409950) has the molecular formula C10H6Cl4O and a molecular weight of 283.97 g/mol. Its IUPAC name is 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride.

Molecular Properties

Compound Name4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride
PubChem CID71409950
Molecular FormulaC10H6Cl4O
Molecular Weight283.97 g/mol
Exact Mass281.92
IUPAC Name4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(CC(Cl)=C(Cl)Cl)cc1
InChIInChI=1S/C10H6Cl4O/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4H,5H2
InChIKeyGQDKJUPKKDSXJE-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride?
The IUPAC name of 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride (CID 71409950) is 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride.
What is the SMILES notation for 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride?
The canonical SMILES for 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride is O=C(Cl)c1ccc(CC(Cl)=C(Cl)Cl)cc1.
What is the InChIKey of 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride?
The InChIKey is GQDKJUPKKDSXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4O/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4H,5H2.
What are the key properties of 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride?
4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride has a molecular weight of 283.97 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride is sourced from PubChem (CID 71409950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).