3-chloro-4-fluorobenzoyl chloride

C7H3Cl2FO — CID 2736548

IUPAC3-chloro-4-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H3Cl2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H
InChIKeyDLZUHSFUBZTBQZ-UHFFFAOYSA-N
MW193.00 g/mol
LogP2.86
Rot. Bonds1

About 3-chloro-4-fluorobenzoyl chloride

3-chloro-4-fluorobenzoyl chloride (PubChem CID 2736548) has the molecular formula C7H3Cl2FO and a molecular weight of 193.00 g/mol. Its IUPAC name is 3-chloro-4-fluorobenzoyl chloride.

Molecular Properties

Compound Name3-chloro-4-fluorobenzoyl chloride
PubChem CID2736548
Molecular FormulaC7H3Cl2FO
Molecular Weight193.00 g/mol
Exact Mass191.95
IUPAC Name3-chloro-4-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H3Cl2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H
InChIKeyDLZUHSFUBZTBQZ-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 52.86
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 3-chloro-4-fluorobenzoyl chloride?
The IUPAC name of 3-chloro-4-fluorobenzoyl chloride (CID 2736548) is 3-chloro-4-fluorobenzoyl chloride.
What is the SMILES notation for 3-chloro-4-fluorobenzoyl chloride?
The canonical SMILES for 3-chloro-4-fluorobenzoyl chloride is O=C(Cl)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluorobenzoyl chloride?
The InChIKey is DLZUHSFUBZTBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H.
What are the key properties of 3-chloro-4-fluorobenzoyl chloride?
3-chloro-4-fluorobenzoyl chloride has a molecular weight of 193.00 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluorobenzoyl chloride is sourced from PubChem (CID 2736548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).