N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide

C9H13F3N2O2 — CID 143059695

IUPACN-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N1CCC[C@H]1CNC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-3-7(14)5-13-8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,16)/t7-/m0/s1
InChIKeyKVLUZPUMHPMPKT-ZETCQYMHSA-N
MW238.21 g/mol
LogP0.68
Rot. Bonds2

About N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 143059695) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID143059695
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N1CCC[C@H]1CNC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-3-7(14)5-13-8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,16)/t7-/m0/s1
InChIKeyKVLUZPUMHPMPKT-ZETCQYMHSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(propan-2-yl)ethanediamide
CID 3156743
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethanediamide
CID 3156690
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-propylethanediamide
CID 3156711
N-(butan-2-yl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156762
AC1Odwrv
CID 7022081
2-[cyclopentyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 56783908
N-[(3R,6S)-1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 132323406
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide
CID 164641633
N-(1-ethylpiperidin-3-yl)-2,2,2-trifluoroacetamide
CID 62726929
2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide
CID 537575
2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 7015587
(S)-1-(3-aminopyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 10845131

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide (CID 143059695) is N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide is CC(=O)N1CCC[C@H]1CNC(=O)C(F)(F)F.
What is the InChIKey of N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is KVLUZPUMHPMPKT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-3-7(14)5-13-8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,16)/t7-/m0/s1.
What are the key properties of N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 238.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 143059695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).