2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide

C10H17F3N2O — CID 166529361

IUPAC2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-7(2)9(16)14-8-3-4-15(5-8)6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyIJRBHUFGADZVFS-MRVPVSSYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide

2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide (PubChem CID 166529361) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
PubChem CID166529361
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-7(2)9(16)14-8-3-4-15(5-8)6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyIJRBHUFGADZVFS-MRVPVSSYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
2-(2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111085498
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
2-(3-methylbutyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111085484
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111318150
1-(2-tert-butylphenyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49111082
3-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111914156
(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660589
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 129434738
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110957530

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide (CID 166529361) is 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide is CC(C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is IJRBHUFGADZVFS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(2)9(16)14-8-3-4-15(5-8)6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 238.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 166529361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).