2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide

C10H17F3N2O — CID 167014220

IUPAC2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(C)N1CC[C@H](N(C)C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-7(2)15-5-4-8(6-15)14(3)9(16)10(11,12)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyLRTXJQLOUDFVPS-QMMMGPOBSA-N
MW238.25 g/mol
LogP1.49
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 167014220) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID167014220
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(C)N1CC[C@H](N(C)C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-7(2)15-5-4-8(6-15)14(3)9(16)10(11,12)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyLRTXJQLOUDFVPS-QMMMGPOBSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
N,N,1-tri(propan-2-yl)pyrrolidin-3-amine
CID 163258645
tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 119028664
N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine
CID 146606746
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 65065595
2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79119811
3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid
CID 55225240
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115175075
(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 103929164
N-methyl-2-(4-phenylphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide;hydrochloride
CID 10156170
2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 167340101

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide (CID 167014220) is 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide is CC(C)N1CC[C@H](N(C)C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is LRTXJQLOUDFVPS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(2)15-5-4-8(6-15)14(3)9(16)10(11,12)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 167014220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).