N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H19F3N2O — CID 55166695

IUPACN,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(CC)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-3-10(5-6-15-7-10)9(17)16(4-2)8-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyGUIHQXLTFVITHS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

About N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55166695) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55166695
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(CC)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-3-10(5-6-15-7-10)9(17)16(4-2)8-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyGUIHQXLTFVITHS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55166695) is N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1(CC)CCNC1.
What is the InChIKey of N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is GUIHQXLTFVITHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-10(5-6-15-7-10)9(17)16(4-2)8-11(12,13)14/h15H,3-8H2,1-2H3.
What are the key properties of N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide 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 N,3-diethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55166695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).