1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid

C8H10F3NO4 — CID 50990537

IUPAC1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyLCFAZZGZAOLUNV-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.23
Rot. Bonds2

About 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid

1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 50990537) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID50990537
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyLCFAZZGZAOLUNV-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-1-((tert-butoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 2756017
Pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
CID 3127493
N-Boc-4,4-difluoro-L-proline methyl ester
CID 11129200
1-(Trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 597112
(2S,4S)-1-[(tert-butoxy)carbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 11426084
1-(Trifluoroacetyl)-L-proline
CID 11082665
(2S,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 12043048
(2S,3S)-1-((tert-butoxy)carbonyl)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 96134000
Methyl (S)-1-(ethoxycarbonyl)pyrrolidine-2-carboxylate
CID 11084871
1-(1,1-Dimethylethyl) (2R,4S)-4-(trifluoromethyl)-1,2-pyrrolidinedicarboxylate
CID 10858993
(2S,4S)-1-(tert-Butoxycarbonyl)-4-(difluoromethyl)pyrrolidine-2-carboxylic acid
CID 10879981
(2R,4R)-1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 10902099

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 50990537) is 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)OCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LCFAZZGZAOLUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 50990537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).