1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide

C7H9F3N2O2 — CID 103637569

IUPAC1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-2-1-4(3-12)5(11)13/h4H,1-3H2,(H2,11,13)
InChIKeyYHOQUWJWHUCBIG-UHFFFAOYSA-N
MW210.15 g/mol
LogP-0.12
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide

1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide (PubChem CID 103637569) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
PubChem CID103637569
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-2-1-4(3-12)5(11)13/h4H,1-3H2,(H2,11,13)
InChIKeyYHOQUWJWHUCBIG-UHFFFAOYSA-N
XLogP-0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide 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

1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512781
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
(2S)-1-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 110867508
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide
CID 17311906
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2,2-trifluoroethanone
CID 81482887
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide (CID 103637569) is 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
The InChIKey is YHOQUWJWHUCBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-2-1-4(3-12)5(11)13/h4H,1-3H2,(H2,11,13).
What are the key properties of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide has a molecular weight of 210.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103637569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).