4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid

C12H10F3NO4 — CID 65101284

IUPAC4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H10F3NO4/c13-5-1-7(14)10(8(15)2-5)11(18)16-4-6(17)3-9(16)12(19)20/h1-2,6,9,17H,3-4H2,(H,19,20)
InChIKeyUGOGBZNPVRCQOV-UHFFFAOYSA-N
MW289.21 g/mol
LogP0.76
Rot. Bonds2

About 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 65101284) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID65101284
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H10F3NO4/c13-5-1-7(14)10(8(15)2-5)11(18)16-4-6(17)3-9(16)12(19)20/h1-2,6,9,17H,3-4H2,(H,19,20)
InChIKeyUGOGBZNPVRCQOV-UHFFFAOYSA-N
XLogP0.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153392
(2S,4R)-1-(3-bromo-5-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841964
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114019641
1-(2-chloro-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16774023
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295
(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036821
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-1-(2-fluoro-4-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000643
(2S,4S)-1-(5-fluoro-2-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714768
(2S,4S)-4-hydroxy-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714832
(2S,4S)-1-(3,5-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712843
1-(4-chloro-2-hydroxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24709404

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid (CID 65101284) is 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UGOGBZNPVRCQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO4/c13-5-1-7(14)10(8(15)2-5)11(18)16-4-6(17)3-9(16)12(19)20/h1-2,6,9,17H,3-4H2,(H,19,20).
What are the key properties of 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65101284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).