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

C6H8F3NO — CID 43314819

IUPAC1-(2,2,2-trifluoroethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-10-2-1-5(11)3-10/h1-4H2
InChIKeyANKYYRLEODZXNO-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.82
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)pyrrolidin-3-one (PubChem CID 43314819) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrrolidin-3-one
PubChem CID43314819
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name1-(2,2,2-trifluoroethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-10-2-1-5(11)3-10/h1-4H2
InChIKeyANKYYRLEODZXNO-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolidone, 1-methyl-
CID 144283
1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one
CID 58245643
1-(3,3-Difluoropyrrolidin-1-yl)propan-2-one
CID 58245657
1-[(3S)-3-fluoropyrrolidin-1-yl]propan-2-one
CID 58245663
1-(3-Fluoropyrrolidin-1-yl)propan-2-one
CID 76713387
1-(2-Fluoroethyl)pyrrolidin-3-one
CID 88454071
1-(2,2,2-Trifluoroacetyl)pyrrolidin-3-one
CID 88569242
2,2,3,3-Tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride
CID 129208015
3-(3,3-Difluoropyrrolidin-1-yl)butan-2-one
CID 131127462
1-[(3S)-3-fluoropyrrolidin-1-yl]butan-2-one
CID 144037706
2,2-Difluoro-2-pyrrolidin-1-ylacetyl fluoride
CID 156855365
1-(1,1,1-Trifluorobutan-2-yl)pyrrolidin-3-one
CID 174436447

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one (CID 43314819) is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one is O=C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one?
The InChIKey is ANKYYRLEODZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)4-10-2-1-5(11)3-10/h1-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one?
1-(2,2,2-trifluoroethyl)pyrrolidin-3-one has a molecular weight of 167.13 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-one is sourced from PubChem (CID 43314819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).