3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H19F3N2O — CID 55162267

IUPAC3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-8(2)16(7-11(12,13)14)9(17)10(3)4-5-15-6-10/h8,15H,4-7H2,1-3H3
InChIKeyOHGAVTLFIKNNJI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55162267) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55162267
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-8(2)16(7-11(12,13)14)9(17)10(3)4-5-15-6-10/h8,15H,4-7H2,1-3H3
InChIKeyOHGAVTLFIKNNJI-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)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

4-Methyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 105433259
N-[(2S)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 177859952
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-4,4,4-trifluorobutanamide
CID 45243609
N-(2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45812054
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 72133199
(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide
CID 164638908
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide
CID 164641633
(+)-N-(4,4-Dimethyl-3-Pyrrolidinyl)-2,2,2-Trifluoro-Acetamide
CID 19429302
(S)-N-(4,4-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 54061110
(2S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 57736828
(3S)-N-cyclopropyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 57937363

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55162267) is 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is OHGAVTLFIKNNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)16(7-11(12,13)14)9(17)10(3)4-5-15-6-10/h8,15H,4-7H2,1-3H3.
What are the key properties of 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55162267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).