N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

C8H11F3N2O2 — CID 156532686

IUPACN-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)12-6-2-7(15)13(3-6)4-8(9,10)11/h6H,2-4H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyZSUQSFXVHDYCDY-ZCFIWIBFSA-N
MW224.18 g/mol
LogP0.29
Rot. Bonds2

About N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (PubChem CID 156532686) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
PubChem CID156532686
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)12-6-2-7(15)13(3-6)4-8(9,10)11/h6H,2-4H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyZSUQSFXVHDYCDY-ZCFIWIBFSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (CID 156532686) is N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is ZSUQSFXVHDYCDY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-5(14)12-6-2-7(15)13(3-6)4-8(9,10)11/h6H,2-4H2,1H3,(H,12,14)/t6-/m1/s1.
What are the key properties of N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 224.18 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156532686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).