2,5-difluorobenzoyl chloride

C7H3ClF2O — CID 588082

IUPAC2,5-difluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1F
InChIInChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H
InChIKeyRLRUKKDFNWXXRT-UHFFFAOYSA-N
MW176.55 g/mol
LogP2.34
Rot. Bonds1

About 2,5-difluorobenzoyl chloride

2,5-difluorobenzoyl chloride (PubChem CID 588082) has the molecular formula C7H3ClF2O and a molecular weight of 176.55 g/mol. Its IUPAC name is 2,5-difluorobenzoyl chloride.

Molecular Properties

Compound Name2,5-difluorobenzoyl chloride
PubChem CID588082
Molecular FormulaC7H3ClF2O
Molecular Weight176.55 g/mol
Exact Mass175.98
IUPAC Name2,5-difluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1F
InChIInChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H
InChIKeyRLRUKKDFNWXXRT-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.55
LogP ≤ 52.34
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 2,5-difluorobenzoyl chloride?
The IUPAC name of 2,5-difluorobenzoyl chloride (CID 588082) is 2,5-difluorobenzoyl chloride.
What is the SMILES notation for 2,5-difluorobenzoyl chloride?
The canonical SMILES for 2,5-difluorobenzoyl chloride is O=C(Cl)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluorobenzoyl chloride?
The InChIKey is RLRUKKDFNWXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H.
What are the key properties of 2,5-difluorobenzoyl chloride?
2,5-difluorobenzoyl chloride has a molecular weight of 176.55 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluorobenzoyl chloride is sourced from PubChem (CID 588082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).