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

C12H21F3N2O — CID 63144016

IUPAC3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(CC)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-3-7-17(9-12(13,14)15)10(18)11(4-2)5-6-16-8-11/h16H,3-9H2,1-2H3
InChIKeyBWKNKOLAFLYPLE-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds5

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

3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63144016) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63144016
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(CC)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-3-7-17(9-12(13,14)15)10(18)11(4-2)5-6-16-8-11/h16H,3-9H2,1-2H3
InChIKeyBWKNKOLAFLYPLE-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63144016) is 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(CC)CCNC1.
What is the InChIKey of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is BWKNKOLAFLYPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-7-17(9-12(13,14)15)10(18)11(4-2)5-6-16-8-11/h16H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63144016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).