6-chloro-2,3-difluorobenzoyl chloride

C7H2Cl2F2O — CID 50998364

IUPAC6-chloro-2,3-difluorobenzoyl chloride
SMILESO=C(Cl)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C7H2Cl2F2O/c8-3-1-2-4(10)6(11)5(3)7(9)12/h1-2H
InChIKeyCHLDUAMDKJNJKC-UHFFFAOYSA-N
MW210.99 g/mol
LogP3.00
Rot. Bonds1

About 6-chloro-2,3-difluorobenzoyl chloride

6-chloro-2,3-difluorobenzoyl chloride (PubChem CID 50998364) has the molecular formula C7H2Cl2F2O and a molecular weight of 210.99 g/mol. Its IUPAC name is 6-chloro-2,3-difluorobenzoyl chloride.

Molecular Properties

Compound Name6-chloro-2,3-difluorobenzoyl chloride
PubChem CID50998364
Molecular FormulaC7H2Cl2F2O
Molecular Weight210.99 g/mol
Exact Mass209.95
IUPAC Name6-chloro-2,3-difluorobenzoyl chloride
SMILESO=C(Cl)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C7H2Cl2F2O/c8-3-1-2-4(10)6(11)5(3)7(9)12/h1-2H
InChIKeyCHLDUAMDKJNJKC-UHFFFAOYSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.99
LogP ≤ 53.00
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 6-chloro-2,3-difluorobenzoyl chloride?
The IUPAC name of 6-chloro-2,3-difluorobenzoyl chloride (CID 50998364) is 6-chloro-2,3-difluorobenzoyl chloride.
What is the SMILES notation for 6-chloro-2,3-difluorobenzoyl chloride?
The canonical SMILES for 6-chloro-2,3-difluorobenzoyl chloride is O=C(Cl)c1c(Cl)ccc(F)c1F.
What is the InChIKey of 6-chloro-2,3-difluorobenzoyl chloride?
The InChIKey is CHLDUAMDKJNJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2O/c8-3-1-2-4(10)6(11)5(3)7(9)12/h1-2H.
What are the key properties of 6-chloro-2,3-difluorobenzoyl chloride?
6-chloro-2,3-difluorobenzoyl chloride has a molecular weight of 210.99 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-difluorobenzoyl chloride is sourced from PubChem (CID 50998364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).