2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide

C11H19F3N2O — CID 59084922

IUPAC2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)CCN1CC[C@@H](NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-8(2)3-5-16-6-4-9(7-16)15-10(17)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyBQSOBTUNRODSHI-SECBINFHSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

About 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide (PubChem CID 59084922) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide
PubChem CID59084922
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)CCN1CC[C@@H](NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-8(2)3-5-16-6-4-9(7-16)15-10(17)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyBQSOBTUNRODSHI-SECBINFHSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

AC1Odwrv
CID 7022081
3-(N-Acetyl-N-ethylamino)pyrrolidine
CID 2756274
1-Acetyl-3-ethylaminopyrrolidine
CID 45934254
1-(3-Aminopyrrolidin-1-yl)-2-methylpropan-1-one
CID 21074581
(S)-1-(3-Aminopyrrolidin-1-yl)-2-methylpropan-1-one hydrochloride
CID 56604272
(R)-1-(3-Aminopyrrolidin-1-yl)-2-methylpropan-1-one hydrochloride
CID 56604279
1-[4-(4-Methylpyrrolidin-3-yl)piperazin-1-yl]ethan-1-one
CID 71873012
(2S)-2-amino-1-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129494357
1-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129497578
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
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide (CID 59084922) is 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide is CC(C)CCN1CC[C@@H](NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide?
The InChIKey is BQSOBTUNRODSHI-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)3-5-16-6-4-9(7-16)15-10(17)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 59084922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).