2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide

C7H11F3N2O — CID 13401976

IUPAC2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCNC1
InChIInChI=1S/C7H11F3N2O/c1-12(5-2-3-11-4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeySWSRQBQNDXXVCD-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide

2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 13401976) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID13401976
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCNC1
InChIInChI=1S/C7H11F3N2O/c1-12(5-2-3-11-4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeySWSRQBQNDXXVCD-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide (CID 13401976) is 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide is CN(C(=O)C(F)(F)F)C1CCNC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is SWSRQBQNDXXVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-12(5-2-3-11-4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide?
2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 196.17 g/mol, XLogP of 0.37, 1 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-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 13401976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).