2,4,6-trichlorobenzoyl fluoride

C7H2Cl3FO — CID 154123611

IUPAC2,4,6-trichlorobenzoyl fluoride
SMILESO=C(F)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H2Cl3FO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKeyVAKKMDVCJKMUJW-UHFFFAOYSA-N
MW227.45 g/mol
LogP3.76
Rot. Bonds1

About 2,4,6-trichlorobenzoyl fluoride

2,4,6-trichlorobenzoyl fluoride (PubChem CID 154123611) has the molecular formula C7H2Cl3FO and a molecular weight of 227.45 g/mol. Its IUPAC name is 2,4,6-trichlorobenzoyl fluoride.

Molecular Properties

Compound Name2,4,6-trichlorobenzoyl fluoride
PubChem CID154123611
Molecular FormulaC7H2Cl3FO
Molecular Weight227.45 g/mol
Exact Mass225.92
IUPAC Name2,4,6-trichlorobenzoyl fluoride
SMILESO=C(F)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H2Cl3FO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKeyVAKKMDVCJKMUJW-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4,6-trichlorobenzoyl fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichlorobenzoyl fluoride?
The IUPAC name of 2,4,6-trichlorobenzoyl fluoride (CID 154123611) is 2,4,6-trichlorobenzoyl fluoride.
What is the SMILES notation for 2,4,6-trichlorobenzoyl fluoride?
The canonical SMILES for 2,4,6-trichlorobenzoyl fluoride is O=C(F)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichlorobenzoyl fluoride?
The InChIKey is VAKKMDVCJKMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3FO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H.
What are the key properties of 2,4,6-trichlorobenzoyl fluoride?
2,4,6-trichlorobenzoyl fluoride has a molecular weight of 227.45 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichlorobenzoyl fluoride is sourced from PubChem (CID 154123611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).