3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one

C8H13F3N2O — CID 118473302

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one
SMILESCCN(CC(F)(F)F)C1CCNC1=O
InChIInChI=1S/C8H13F3N2O/c1-2-13(5-8(9,10)11)6-3-4-12-7(6)14/h6H,2-5H2,1H3,(H,12,14)
InChIKeySEJPAZPCIWWQIG-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds3

About 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one

3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one (PubChem CID 118473302) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one
PubChem CID118473302
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one
SMILESCCN(CC(F)(F)F)C1CCNC1=O
InChIInChI=1S/C8H13F3N2O/c1-2-13(5-8(9,10)11)6-3-4-12-7(6)14/h6H,2-5H2,1H3,(H,12,14)
InChIKeySEJPAZPCIWWQIG-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one (CID 118473302) is 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one is CCN(CC(F)(F)F)C1CCNC1=O.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one?
The InChIKey is SEJPAZPCIWWQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-13(5-8(9,10)11)6-3-4-12-7(6)14/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one?
3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 118473302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).