3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C8H13F3N2O — CID 91623575

IUPAC3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCN(C)C1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H13F3N2O/c1-12(2)6-3-4-13(7(6)14)5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyCMDGMHPRPJCAPZ-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.71
Rot. Bonds2

About 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 91623575) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID91623575
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCN(C)C1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H13F3N2O/c1-12(2)6-3-4-13(7(6)14)5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyCMDGMHPRPJCAPZ-UHFFFAOYSA-N
XLogP0.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 91623575) is 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CN(C)C1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is CMDGMHPRPJCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-12(2)6-3-4-13(7(6)14)5-8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 91623575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).