3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H9F2NO3 — CID 105359926

IUPAC3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2cc(F)ccc2F)C(C(=O)O)N1
InChIInChI=1S/C11H9F2NO3/c12-5-1-2-8(13)6(3-5)7-4-9(15)14-10(7)11(16)17/h1-3,7,10H,4H2,(H,14,15)(H,16,17)
InChIKeyHCIIYMWWOJZNPK-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.02
Rot. Bonds2

About 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 105359926) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID105359926
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2cc(F)ccc2F)C(C(=O)O)N1
InChIInChI=1S/C11H9F2NO3/c12-5-1-2-8(13)6(3-5)7-4-9(15)14-10(7)11(16)17/h1-3,7,10H,4H2,(H,14,15)(H,16,17)
InChIKeyHCIIYMWWOJZNPK-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137
3-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359970
3-(2,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 79337990
(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
CID 10979324
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359780
3-(3,5-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360038
(2S)-3-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 118295399
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 105359926) is 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C1CC(c2cc(F)ccc2F)C(C(=O)O)N1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is HCIIYMWWOJZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)6(3-5)7-4-9(15)14-10(7)11(16)17/h1-3,7,10H,4H2,(H,14,15)(H,16,17).
What are the key properties of 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 241.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105359926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).