3,5-dichloro-2,4-difluorobenzoyl fluoride

C7HCl2F3O — CID 5463764

IUPAC3,5-dichloro-2,4-difluorobenzoyl fluoride
SMILESO=C(F)c1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C7HCl2F3O/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1H
InChIKeyVWNMVYACOKCDLR-UHFFFAOYSA-N
MW228.98 g/mol
LogP3.38
Rot. Bonds1

About 3,5-dichloro-2,4-difluorobenzoyl fluoride

3,5-dichloro-2,4-difluorobenzoyl fluoride (PubChem CID 5463764) has the molecular formula C7HCl2F3O and a molecular weight of 228.98 g/mol. Its IUPAC name is 3,5-dichloro-2,4-difluorobenzoyl fluoride.

Molecular Properties

Compound Name3,5-dichloro-2,4-difluorobenzoyl fluoride
PubChem CID5463764
Molecular FormulaC7HCl2F3O
Molecular Weight228.98 g/mol
Exact Mass227.94
IUPAC Name3,5-dichloro-2,4-difluorobenzoyl fluoride
SMILESO=C(F)c1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C7HCl2F3O/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1H
InChIKeyVWNMVYACOKCDLR-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.98
LogP ≤ 53.38
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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Related Compounds

3,5-Dichlorobenzoyl chloride
CID 76191
Benzoyl chloride, 3-chloro-
CID 69252
1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-one
CID 2758231
3,5-Dichlorobenzaldehyde
CID 35746
2,4,5-Trifluorobenzoyl chloride
CID 145164
2,3,4,5-Tetrafluorobenzoyl chloride
CID 2733689
2,3,4-Trifluorobenzoyl chloride
CID 2734022
4-Chlorobenzoyl Fluoride
CID 11040973
3-Chloro-4-fluorobenzoyl Chloride
CID 2736548
1-(3-Chlorophenyl)-2,2,2-trifluoroethanone
CID 2757931
3,5-Difluorobenzoyl chloride
CID 145600
3'-Chloro-4'-fluoroacetophenone
CID 520422

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4-difluorobenzoyl fluoride?
The IUPAC name of 3,5-dichloro-2,4-difluorobenzoyl fluoride (CID 5463764) is 3,5-dichloro-2,4-difluorobenzoyl fluoride.
What is the SMILES notation for 3,5-dichloro-2,4-difluorobenzoyl fluoride?
The canonical SMILES for 3,5-dichloro-2,4-difluorobenzoyl fluoride is O=C(F)c1cc(Cl)c(F)c(Cl)c1F.
What is the InChIKey of 3,5-dichloro-2,4-difluorobenzoyl fluoride?
The InChIKey is VWNMVYACOKCDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F3O/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1H.
What are the key properties of 3,5-dichloro-2,4-difluorobenzoyl fluoride?
3,5-dichloro-2,4-difluorobenzoyl fluoride has a molecular weight of 228.98 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4-difluorobenzoyl fluoride is sourced from PubChem (CID 5463764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).