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

C6H8F3NO2 — CID 91623568

IUPAC3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(O)CCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-10-2-1-4(11)5(10)12/h4,11H,1-3H2
InChIKeyYYUJHPARFSMYDE-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.14
Rot. Bonds1

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

3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 91623568) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID91623568
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(O)CCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-10-2-1-4(11)5(10)12/h4,11H,1-3H2
InChIKeyYYUJHPARFSMYDE-UHFFFAOYSA-N
XLogP0.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 91623568) is 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(O)CCN1CC(F)(F)F.
What is the InChIKey of 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is YYUJHPARFSMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)3-10-2-1-4(11)5(10)12/h4,11H,1-3H2.
What are the key properties of 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 183.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 91623568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).