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

C8H11F3N2O3 — CID 123428236

IUPAC2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)O
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-6(14)5-2-1-3-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyLFFCBTVUGXTWMD-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.81
Rot. Bonds2

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

2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 123428236) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID123428236
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)O
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-6(14)5-2-1-3-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyLFFCBTVUGXTWMD-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
1-N-[4-(4-ethylpiperazin-1-yl)butyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 55807237
1-(4-phenoxybutanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600518
1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669330
(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 121437087
1-(4,5-dibromothiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600496
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95299874
2,2,2-trifluoroethyl (2S)-2-(2,2-dimethylpropylcarbamoyl)pyrrolidine-1-carboxylate
CID 95243271
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669558
N-(2,2-difluoro-3-hydroxypropyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 104862896
(2R)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94076044

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 123428236) is 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid is O=C(NCC(F)(F)F)C1CCCN1C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is LFFCBTVUGXTWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-6(14)5-2-1-3-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid?
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 240.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 123428236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).