3-chloro-4,5-difluorobenzoyl fluoride

C7H2ClF3O — CID 19850493

IUPAC3-chloro-4,5-difluorobenzoyl fluoride
SMILESO=C(F)c1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C7H2ClF3O/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H
InChIKeyRBGXYABFTXLEPI-UHFFFAOYSA-N
MW194.54 g/mol
LogP2.73
Rot. Bonds1

About 3-chloro-4,5-difluorobenzoyl fluoride

3-chloro-4,5-difluorobenzoyl fluoride (PubChem CID 19850493) has the molecular formula C7H2ClF3O and a molecular weight of 194.54 g/mol. Its IUPAC name is 3-chloro-4,5-difluorobenzoyl fluoride.

Molecular Properties

Compound Name3-chloro-4,5-difluorobenzoyl fluoride
PubChem CID19850493
Molecular FormulaC7H2ClF3O
Molecular Weight194.54 g/mol
Exact Mass193.97
IUPAC Name3-chloro-4,5-difluorobenzoyl fluoride
SMILESO=C(F)c1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C7H2ClF3O/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H
InChIKeyRBGXYABFTXLEPI-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.54
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichloro-4-fluorophenyl)-2-oxoacetic acid
CID 117345896
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
3,4-dichloro-5-fluorobenzoic acid
CID 50997844
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
3-chloro-5-fluoro-4-hydroxybenzoic acid
CID 67496538
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
3-chloro-5-fluoro-4-methylbenzoyl chloride
CID 130777927
2-amino-1-(3,5-dichloro-4-fluorophenyl)ethanone;hydrochloride
CID 122235372
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
2-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-2-oxoacetic acid
CID 117374840
3-bromo-5-chloro-4-fluorobenzamide
CID 131622385

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-difluorobenzoyl fluoride?
The IUPAC name of 3-chloro-4,5-difluorobenzoyl fluoride (CID 19850493) is 3-chloro-4,5-difluorobenzoyl fluoride.
What is the SMILES notation for 3-chloro-4,5-difluorobenzoyl fluoride?
The canonical SMILES for 3-chloro-4,5-difluorobenzoyl fluoride is O=C(F)c1cc(F)c(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4,5-difluorobenzoyl fluoride?
The InChIKey is RBGXYABFTXLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3O/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H.
What are the key properties of 3-chloro-4,5-difluorobenzoyl fluoride?
3-chloro-4,5-difluorobenzoyl fluoride has a molecular weight of 194.54 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-difluorobenzoyl fluoride is sourced from PubChem (CID 19850493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).