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

C12H21F3N2O2 — CID 63719582

IUPACN-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCOCCN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-3-17(7-8-19-4-2)10(18)11(12(13,14)15)5-6-16-9-11/h16H,3-9H2,1-2H3
InChIKeyFLAATTZUGFZRFG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.41
Rot. Bonds6

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

N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63719582) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63719582
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCOCCN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-3-17(7-8-19-4-2)10(18)11(12(13,14)15)5-6-16-9-11/h16H,3-9H2,1-2H3
InChIKeyFLAATTZUGFZRFG-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.41
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-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63719582) is N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCOCCN(CC)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FLAATTZUGFZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-17(7-8-19-4-2)10(18)11(12(13,14)15)5-6-16-9-11/h16H,3-9H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63719582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).