3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one

C11H19F3N2O2 — CID 63827713

IUPAC3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
SMILESCCCNC1CCN(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H19F3N2O2/c1-2-4-15-9-3-5-16(10(9)17)6-7-18-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeySARSJWVBQVJARR-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds7

About 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one

3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one (PubChem CID 63827713) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
PubChem CID63827713
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
SMILESCCCNC1CCN(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H19F3N2O2/c1-2-4-15-9-3-5-16(10(9)17)6-7-18-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeySARSJWVBQVJARR-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
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 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one (CID 63827713) is 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one is CCCNC1CCN(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The InChIKey is SARSJWVBQVJARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-4-15-9-3-5-16(10(9)17)6-7-18-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one has a molecular weight of 268.28 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 63827713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).