2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid

C12H10F3NO5S — CID 168713294

IUPAC2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1cccc(F)c1F)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H10F3NO5S/c13-8-3-1-2-7(10(8)14)11(12(18)19)16-5-6(4-9(16)17)22(15,20)21/h1-3,6,11H,4-5H2,(H,18,19)
InChIKeyOYMDRYBZZLXJGS-UHFFFAOYSA-N
MW337.28 g/mol
LogP0.99
Rot. Bonds4

About 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid

2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 168713294) has the molecular formula C12H10F3NO5S and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID168713294
Molecular FormulaC12H10F3NO5S
Molecular Weight337.28 g/mol
Exact Mass337.02
IUPAC Name2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1cccc(F)c1F)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H10F3NO5S/c13-8-3-1-2-7(10(8)14)11(12(18)19)16-5-6(4-9(16)17)22(15,20)21/h1-3,6,11H,4-5H2,(H,18,19)
InChIKeyOYMDRYBZZLXJGS-UHFFFAOYSA-N
XLogP0.99
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
2-(3-bromophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713291
(2R)-3-(2-fluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713423
2-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661735
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-(2-fluorophenyl)acetic acid
CID 168506703
2-(2-fluorophenyl)-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]acetic acid
CID 168669377
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 168695804
1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714742
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid
CID 168698885

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid (CID 168713294) is 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid is O=C(O)C(c1cccc(F)c1F)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is OYMDRYBZZLXJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO5S/c13-8-3-1-2-7(10(8)14)11(12(18)19)16-5-6(4-9(16)17)22(15,20)21/h1-3,6,11H,4-5H2,(H,18,19).
What are the key properties of 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 337.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168713294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).