5-(trifluoromethoxy)pyrrolidin-2-one

C5H6F3NO2 — CID 123685049

IUPAC5-(trifluoromethoxy)pyrrolidin-2-one
SMILESO=C1CCC(OC(F)(F)F)N1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)11-4-2-1-3(10)9-4/h4H,1-2H2,(H,9,10)
InChIKeyUXYRPNNHYKIDFU-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.76
Rot. Bonds1

About 5-(trifluoromethoxy)pyrrolidin-2-one

5-(trifluoromethoxy)pyrrolidin-2-one (PubChem CID 123685049) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 5-(trifluoromethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(trifluoromethoxy)pyrrolidin-2-one
PubChem CID123685049
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name5-(trifluoromethoxy)pyrrolidin-2-one
SMILESO=C1CCC(OC(F)(F)F)N1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)11-4-2-1-3(10)9-4/h4H,1-2H2,(H,9,10)
InChIKeyUXYRPNNHYKIDFU-UHFFFAOYSA-N
XLogP0.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)pyrrolidin-2-one?
The IUPAC name of 5-(trifluoromethoxy)pyrrolidin-2-one (CID 123685049) is 5-(trifluoromethoxy)pyrrolidin-2-one.
What is the SMILES notation for 5-(trifluoromethoxy)pyrrolidin-2-one?
The canonical SMILES for 5-(trifluoromethoxy)pyrrolidin-2-one is O=C1CCC(OC(F)(F)F)N1.
What is the InChIKey of 5-(trifluoromethoxy)pyrrolidin-2-one?
The InChIKey is UXYRPNNHYKIDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)11-4-2-1-3(10)9-4/h4H,1-2H2,(H,9,10).
What are the key properties of 5-(trifluoromethoxy)pyrrolidin-2-one?
5-(trifluoromethoxy)pyrrolidin-2-one has a molecular weight of 169.10 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)pyrrolidin-2-one is sourced from PubChem (CID 123685049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).