2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid

C10H9FO3 — CID 117285932

IUPAC2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cccc(CCF)c1
InChIInChI=1S/C10H9FO3/c11-5-4-7-2-1-3-8(6-7)9(12)10(13)14/h1-3,6H,4-5H2,(H,13,14)
InChIKeyVEOAASZOJCMORG-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.47
Rot. Bonds4

About 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid

2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid (PubChem CID 117285932) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid
PubChem CID117285932
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cccc(CCF)c1
InChIInChI=1S/C10H9FO3/c11-5-4-7-2-1-3-8(6-7)9(12)10(13)14/h1-3,6H,4-5H2,(H,13,14)
InChIKeyVEOAASZOJCMORG-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.47
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

methanol;2-oxo-2-(3-pentylphenyl)acetic acid
CID 144699085
1-[3-(2-fluoroethyl)phenyl]-2-(methylamino)ethanone
CID 117285297
2-[3-(2-hydroxy-2-methylpropyl)phenyl]-2-oxoacetic acid
CID 117109001
1,2-bis[3-(bromomethyl)phenyl]ethane-1,2-dione
CID 141311973
3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
CID 117278674
3-(2-methylsulfanylethyl)benzoic acid
CID 115020753
3-(fluoromethyl)benzoyl chloride
CID 88536338
bis[3-(2-bromoethyl)phenyl]methanone
CID 175893594
2-oxo-2-phenylacetic acid;yttrium
CID 20801354
2-fluoroethylbenzene;hydrate
CID 174885583
3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
CID 55236658
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117379310

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid?
The IUPAC name of 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid (CID 117285932) is 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid?
The canonical SMILES for 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid is O=C(O)C(=O)c1cccc(CCF)c1.
What is the InChIKey of 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid?
The InChIKey is VEOAASZOJCMORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-5-4-7-2-1-3-8(6-7)9(12)10(13)14/h1-3,6H,4-5H2,(H,13,14).
What are the key properties of 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid?
2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid has a molecular weight of 196.18 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)phenyl]-2-oxoacetic acid is sourced from PubChem (CID 117285932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).