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

C13H6ClF3O — CID 118806458

IUPAC5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C13H6ClF3O/c14-13(18)9-6-7(4-5-10(9)15)8-2-1-3-11(16)12(8)17/h1-6H
InChIKeyGGNMXXZIQXFEBA-UHFFFAOYSA-N
MW270.64 g/mol
LogP4.15
Rot. Bonds2

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

5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride (PubChem CID 118806458) has the molecular formula C13H6ClF3O and a molecular weight of 270.64 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
PubChem CID118806458
Molecular FormulaC13H6ClF3O
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C13H6ClF3O/c14-13(18)9-6-7(4-5-10(9)15)8-2-1-3-11(16)12(8)17/h1-6H
InChIKeyGGNMXXZIQXFEBA-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

methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
5-chloro-2-fluorobenzoyl chloride
CID 2773604
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
3-(2,3-difluorophenyl)-5-fluorobenzoyl chloride
CID 134628961
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
5-(2,3-difluorophenyl)-2-fluorobenzaldehyde
CID 63988586
2-fluoro-5-pyridin-3-ylbenzoyl chloride
CID 46315592
2-fluorobenzoyl chloride
CID 9808
2-(2,3,4-trifluorophenyl)benzoyl chloride
CID 87480347
4-(2,3-difluorophenyl)benzamide
CID 18626229

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride?
The IUPAC name of 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride (CID 118806458) is 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride is O=C(Cl)c1cc(-c2cccc(F)c2F)ccc1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride?
The InChIKey is GGNMXXZIQXFEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3O/c14-13(18)9-6-7(4-5-10(9)15)8-2-1-3-11(16)12(8)17/h1-6H.
What are the key properties of 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride?
5-(2,3-difluorophenyl)-2-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 5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride is sourced from PubChem (CID 118806458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).