N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide

C10H17F3N2O3 — CID 56793078

IUPACN-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC1C(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-18-6-4-14-9(17)15-5-2-3-7(15)8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyFDFOAODBJPNGLQ-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.73
Rot. Bonds4

About N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide

N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 56793078) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID56793078
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC1C(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-18-6-4-14-9(17)15-5-2-3-7(15)8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyFDFOAODBJPNGLQ-UHFFFAOYSA-N
XLogP0.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
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-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide (CID 56793078) is N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide is COCCNC(=O)N1CCCC1C(O)C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is FDFOAODBJPNGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-18-6-4-14-9(17)15-5-2-3-7(15)8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide?
N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 56793078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).