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

C11H20F3N3O — CID 115663003

IUPAC3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-3-16(4-2)9-5-6-17(7-9)10(18)15-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyMVGQAECOIQAMNB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.67
Rot. Bonds4

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

3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 115663003) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID115663003
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-3-16(4-2)9-5-6-17(7-9)10(18)15-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyMVGQAECOIQAMNB-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 115663003) is 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is MVGQAECOIQAMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-3-16(4-2)9-5-6-17(7-9)10(18)15-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115663003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).