2,3,4,5-tetrafluorobenzoyl chloride

C7HClF4O — CID 2733689

IUPAC2,3,4,5-tetrafluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKeyXWCKIXLTBNGIHV-UHFFFAOYSA-N
MW212.53 g/mol
LogP2.62
Rot. Bonds1

About 2,3,4,5-tetrafluorobenzoyl chloride

2,3,4,5-tetrafluorobenzoyl chloride (PubChem CID 2733689) has the molecular formula C7HClF4O and a molecular weight of 212.53 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorobenzoyl chloride.

Molecular Properties

Compound Name2,3,4,5-tetrafluorobenzoyl chloride
PubChem CID2733689
Molecular FormulaC7HClF4O
Molecular Weight212.53 g/mol
Exact Mass211.97
IUPAC Name2,3,4,5-tetrafluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKeyXWCKIXLTBNGIHV-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.53
LogP ≤ 52.62
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluorobenzoyl chloride?
The IUPAC name of 2,3,4,5-tetrafluorobenzoyl chloride (CID 2733689) is 2,3,4,5-tetrafluorobenzoyl chloride.
What is the SMILES notation for 2,3,4,5-tetrafluorobenzoyl chloride?
The canonical SMILES for 2,3,4,5-tetrafluorobenzoyl chloride is O=C(Cl)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluorobenzoyl chloride?
The InChIKey is XWCKIXLTBNGIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H.
What are the key properties of 2,3,4,5-tetrafluorobenzoyl chloride?
2,3,4,5-tetrafluorobenzoyl chloride has a molecular weight of 212.53 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorobenzoyl chloride is sourced from PubChem (CID 2733689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).