2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O2 — CID 154750960

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCC(C)(O)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(8(16)14-5-10(11,12)13)15-4-3-9(2,17)6-15/h7,17H,3-6H2,1-2H3,(H,14,16)
InChIKeySSQCAMBIJZUKFN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.51
Rot. Bonds3

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 154750960) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID154750960
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCC(C)(O)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(8(16)14-5-10(11,12)13)15-4-3-9(2,17)6-15/h7,17H,3-6H2,1-2H3,(H,14,16)
InChIKeySSQCAMBIJZUKFN-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
CID 162750420
2-[(2-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65106159
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 72108253
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386169
N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039347
3,3,3-Trifluoro-2-methyl-2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propanoic acid
CID 79788924
2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylbutyl)-2-methylpropanamide
CID 79811700
(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]butanamide
CID 95787869
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]butanamide
CID 95787870
(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide
CID 95787871
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide
CID 95787872
(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237723

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 154750960) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N1CCC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SSQCAMBIJZUKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(8(16)14-5-10(11,12)13)15-4-3-9(2,17)6-15/h7,17H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 154750960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).