2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid

C11H10FNO3 — CID 22252981

IUPAC2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCC2=O)c1F
InChIInChI=1S/C11H10FNO3/c12-10-7(11(15)16)3-1-4-8(10)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,15,16)
InChIKeyZWIOLLAKLKNZRB-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.65
Rot. Bonds2

About 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid

2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 22252981) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID22252981
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCC2=O)c1F
InChIInChI=1S/C11H10FNO3/c12-10-7(11(15)16)3-1-4-8(10)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,15,16)
InChIKeyZWIOLLAKLKNZRB-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
CID 67155260
5-bromo-2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
CID 91589130
3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid
CID 90425486
1-(2,3-difluorophenyl)azepan-2-one
CID 141144880
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
CID 87289865
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
2-fluoro-6-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 43581062
(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9130969
3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride
CID 174723380
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid (CID 22252981) is 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1cccc(N2CCCC2=O)c1F.
What is the InChIKey of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is ZWIOLLAKLKNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-10-7(11(15)16)3-1-4-8(10)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,15,16).
What are the key properties of 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid?
2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 223.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 22252981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).