2,4-dichloro-5-fluorobenzoyl chloride

C7H2Cl3FO — CID 2736821

IUPAC2,4-dichloro-5-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C7H2Cl3FO/c8-4-2-5(9)6(11)1-3(4)7(10)12/h1-2H
InChIKeyRPZXUSJCSDQNTE-UHFFFAOYSA-N
MW227.45 g/mol
LogP3.51
Rot. Bonds1

About 2,4-dichloro-5-fluorobenzoyl chloride

2,4-dichloro-5-fluorobenzoyl chloride (PubChem CID 2736821) has the molecular formula C7H2Cl3FO and a molecular weight of 227.45 g/mol. Its IUPAC name is 2,4-dichloro-5-fluorobenzoyl chloride.

Molecular Properties

Compound Name2,4-dichloro-5-fluorobenzoyl chloride
PubChem CID2736821
Molecular FormulaC7H2Cl3FO
Molecular Weight227.45 g/mol
Exact Mass225.92
IUPAC Name2,4-dichloro-5-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C7H2Cl3FO/c8-4-2-5(9)6(11)1-3(4)7(10)12/h1-2H
InChIKeyRPZXUSJCSDQNTE-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluorobenzoyl chloride?
The IUPAC name of 2,4-dichloro-5-fluorobenzoyl chloride (CID 2736821) is 2,4-dichloro-5-fluorobenzoyl chloride.
What is the SMILES notation for 2,4-dichloro-5-fluorobenzoyl chloride?
The canonical SMILES for 2,4-dichloro-5-fluorobenzoyl chloride is O=C(Cl)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluorobenzoyl chloride?
The InChIKey is RPZXUSJCSDQNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3FO/c8-4-2-5(9)6(11)1-3(4)7(10)12/h1-2H.
What are the key properties of 2,4-dichloro-5-fluorobenzoyl chloride?
2,4-dichloro-5-fluorobenzoyl chloride has a molecular weight of 227.45 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluorobenzoyl chloride is sourced from PubChem (CID 2736821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).