2,3,4-trifluorobenzoyl chloride

C7H2ClF3O — CID 2734022

IUPAC2,3,4-trifluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H2ClF3O/c8-7(12)3-1-2-4(9)6(11)5(3)10/h1-2H
InChIKeyNXRQXCFBZGIRGN-UHFFFAOYSA-N
MW194.54 g/mol
LogP2.48
Rot. Bonds1

About 2,3,4-trifluorobenzoyl chloride

2,3,4-trifluorobenzoyl chloride (PubChem CID 2734022) has the molecular formula C7H2ClF3O and a molecular weight of 194.54 g/mol. Its IUPAC name is 2,3,4-trifluorobenzoyl chloride.

Molecular Properties

Compound Name2,3,4-trifluorobenzoyl chloride
PubChem CID2734022
Molecular FormulaC7H2ClF3O
Molecular Weight194.54 g/mol
Exact Mass193.97
IUPAC Name2,3,4-trifluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H2ClF3O/c8-7(12)3-1-2-4(9)6(11)5(3)10/h1-2H
InChIKeyNXRQXCFBZGIRGN-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.54
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluorobenzoyl chloride?
The IUPAC name of 2,3,4-trifluorobenzoyl chloride (CID 2734022) is 2,3,4-trifluorobenzoyl chloride.
What is the SMILES notation for 2,3,4-trifluorobenzoyl chloride?
The canonical SMILES for 2,3,4-trifluorobenzoyl chloride is O=C(Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluorobenzoyl chloride?
The InChIKey is NXRQXCFBZGIRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3O/c8-7(12)3-1-2-4(9)6(11)5(3)10/h1-2H.
What are the key properties of 2,3,4-trifluorobenzoyl chloride?
2,3,4-trifluorobenzoyl chloride has a molecular weight of 194.54 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluorobenzoyl chloride is sourced from PubChem (CID 2734022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).