4-chloro-2,3,5,6-tetrafluorobenzoyl chloride

C7Cl2F4O — CID 2783250

IUPAC4-chloro-2,3,5,6-tetrafluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C7Cl2F4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13
InChIKeyBCYRJFXGRNBBAF-UHFFFAOYSA-N
MW246.97 g/mol
LogP3.28
Rot. Bonds1

About 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride

4-chloro-2,3,5,6-tetrafluorobenzoyl chloride (PubChem CID 2783250) has the molecular formula C7Cl2F4O and a molecular weight of 246.97 g/mol. Its IUPAC name is 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride.

Molecular Properties

Compound Name4-chloro-2,3,5,6-tetrafluorobenzoyl chloride
PubChem CID2783250
Molecular FormulaC7Cl2F4O
Molecular Weight246.97 g/mol
Exact Mass245.93
IUPAC Name4-chloro-2,3,5,6-tetrafluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C7Cl2F4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13
InChIKeyBCYRJFXGRNBBAF-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.97
LogP ≤ 53.28
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 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride?
The IUPAC name of 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride (CID 2783250) is 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride.
What is the SMILES notation for 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride?
The canonical SMILES for 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride is O=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F.
What is the InChIKey of 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride?
The InChIKey is BCYRJFXGRNBBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13.
What are the key properties of 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride?
4-chloro-2,3,5,6-tetrafluorobenzoyl chloride has a molecular weight of 246.97 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride is sourced from PubChem (CID 2783250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).