3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride

C13H6ClF3O — CID 134628961

IUPAC3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H6ClF3O/c14-13(18)8-4-7(5-9(15)6-8)10-2-1-3-11(16)12(10)17/h1-6H
InChIKeyLJMLNSVCIYGWJM-UHFFFAOYSA-N
MW270.64 g/mol
LogP4.15
Rot. Bonds2

About 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride

3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride (PubChem CID 134628961) has the molecular formula C13H6ClF3O and a molecular weight of 270.64 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride
PubChem CID134628961
Molecular FormulaC13H6ClF3O
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(F)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H6ClF3O/c14-13(18)8-4-7(5-9(15)6-8)10-2-1-3-11(16)12(10)17/h1-6H
InChIKeyLJMLNSVCIYGWJM-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
3-amino-5-(2,3-difluorophenyl)benzoic acid
CID 53225919
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371
1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065
3-(2-cyano-3-fluorophenyl)-5-fluorobenzoic acid
CID 103186678
3-(2,3-difluorophenyl)-5-nitrobenzoic acid
CID 53225943
4-(2,3-difluorophenyl)benzamide
CID 18626229
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
2-(3,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134623207
methyl 3-(4-bromo-3-chloro-2-fluorophenyl)-5-fluorobenzoate
CID 106763136

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride?
The IUPAC name of 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride (CID 134628961) is 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride.
What is the SMILES notation for 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride?
The canonical SMILES for 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride is O=C(Cl)c1cc(F)cc(-c2cccc(F)c2F)c1.
What is the InChIKey of 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride?
The InChIKey is LJMLNSVCIYGWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3O/c14-13(18)8-4-7(5-9(15)6-8)10-2-1-3-11(16)12(10)17/h1-6H.
What are the key properties of 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride?
3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride has a molecular weight of 270.64 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride is sourced from PubChem (CID 134628961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).