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

C9H15F3N2O — CID 115608986

IUPAC2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-7-4-3-5-14(7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyMIXIBDJIGGFQAC-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.13
Rot. Bonds2

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

2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 115608986) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID115608986
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-7-4-3-5-14(7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyMIXIBDJIGGFQAC-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 115608986) is 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CCC1CCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is MIXIBDJIGGFQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-7-4-3-5-14(7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115608986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).