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

C9H15F3N2O — CID 138498620

IUPAC(3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(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)/t7-/m1/s1
InChIKeyGEUBMXNJJJOBKF-SSDOTTSWSA-N
MW224.23 g/mol
LogP1.99
Rot. Bonds2

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

(3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 138498620) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID138498620
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name(3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(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)/t7-/m1/s1
InChIKeyGEUBMXNJJJOBKF-SSDOTTSWSA-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 (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 138498620) is (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is GEUBMXNJJJOBKF-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3R)-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 (3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138498620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).