3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C8H12F3NO2 — CID 170651115

IUPAC3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCC1(O)CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H12F3NO2/c1-2-7(14)3-4-12(6(7)13)5-8(9,10)11/h14H,2-5H2,1H3
InChIKeyXMPBALJWZMPGMA-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.92
Rot. Bonds2

About 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 170651115) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID170651115
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCC1(O)CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H12F3NO2/c1-2-7(14)3-4-12(6(7)13)5-8(9,10)11/h14H,2-5H2,1H3
InChIKeyXMPBALJWZMPGMA-UHFFFAOYSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 170651115) is 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CCC1(O)CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is XMPBALJWZMPGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-7(14)3-4-12(6(7)13)5-8(9,10)11/h14H,2-5H2,1H3.
What are the key properties of 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 211.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 170651115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).