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

C6H8F3NO — CID 21076220

IUPAC1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-10-3-1-2-5(10)11/h1-4H2
InChIKeyGUTOHTNRGFDYPH-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.17
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 21076220) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID21076220
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-10-3-1-2-5(10)11/h1-4H2
InChIKeyGUTOHTNRGFDYPH-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 21076220) is 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CCCN1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is GUTOHTNRGFDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)4-10-3-1-2-5(10)11/h1-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 167.13 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 21076220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).