3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C9H15F3N2O — CID 115686644

IUPAC3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-2-7-3-4-14(5-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyGEUBMXNJJJOBKF-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.99
Rot. Bonds2

About 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 115686644) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID115686644
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-2-7-3-4-14(5-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyGEUBMXNJJJOBKF-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 115686644) is 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CCC1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is GEUBMXNJJJOBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-7-3-4-14(5-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115686644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).