2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid

C8H4ClFO3 — CID 117291128

IUPAC2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C8H4ClFO3/c9-6-2-1-4(10)3-5(6)7(11)8(12)13/h1-3H,(H,12,13)
InChIKeyFQZLALJHXGOTLV-UHFFFAOYSA-N
MW202.57 g/mol
LogP1.75
Rot. Bonds2

About 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid

2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid (PubChem CID 117291128) has the molecular formula C8H4ClFO3 and a molecular weight of 202.57 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
PubChem CID117291128
Molecular FormulaC8H4ClFO3
Molecular Weight202.57 g/mol
Exact Mass201.98
IUPAC Name2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C8H4ClFO3/c9-6-2-1-4(10)3-5(6)7(11)8(12)13/h1-3H,(H,12,13)
InChIKeyFQZLALJHXGOTLV-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.57
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
2-oxo-2-(2,4,5-trichlorophenyl)acetic acid
CID 12902422
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetic acid
CID 117337071
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid (CID 117291128) is 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid is O=C(O)C(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid?
The InChIKey is FQZLALJHXGOTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFO3/c9-6-2-1-4(10)3-5(6)7(11)8(12)13/h1-3H,(H,12,13).
What are the key properties of 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid?
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid has a molecular weight of 202.57 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid is sourced from PubChem (CID 117291128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).