N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2O2 — CID 81058628

IUPACN-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCOCCN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-3-18-7-6-16(2)9(17)10(11(12,13)14)4-5-15-8-10/h15H,3-8H2,1-2H3
InChIKeyHJUJGPHBGGIFBS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds5

About N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 81058628) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID81058628
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCOCCN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-3-18-7-6-16(2)9(17)10(11(12,13)14)4-5-15-8-10/h15H,3-8H2,1-2H3
InChIKeyHJUJGPHBGGIFBS-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 81058628) is N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCOCCN(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is HJUJGPHBGGIFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-18-7-6-16(2)9(17)10(11(12,13)14)4-5-15-8-10/h15H,3-8H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 81058628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).