4-(trifluoromethoxy)pyrrolidin-2-one

C5H6F3NO2 — CID 123668486

IUPAC4-(trifluoromethoxy)pyrrolidin-2-one
SMILESO=C1CC(OC(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)11-3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)
InChIKeyROMKVIJYNFVPDL-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.41
Rot. Bonds1

About 4-(trifluoromethoxy)pyrrolidin-2-one

4-(trifluoromethoxy)pyrrolidin-2-one (PubChem CID 123668486) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 4-(trifluoromethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(trifluoromethoxy)pyrrolidin-2-one
PubChem CID123668486
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name4-(trifluoromethoxy)pyrrolidin-2-one
SMILESO=C1CC(OC(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)11-3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)
InChIKeyROMKVIJYNFVPDL-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)pyrrolidin-2-one?
The IUPAC name of 4-(trifluoromethoxy)pyrrolidin-2-one (CID 123668486) is 4-(trifluoromethoxy)pyrrolidin-2-one.
What is the SMILES notation for 4-(trifluoromethoxy)pyrrolidin-2-one?
The canonical SMILES for 4-(trifluoromethoxy)pyrrolidin-2-one is O=C1CC(OC(F)(F)F)CN1.
What is the InChIKey of 4-(trifluoromethoxy)pyrrolidin-2-one?
The InChIKey is ROMKVIJYNFVPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)11-3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10).
What are the key properties of 4-(trifluoromethoxy)pyrrolidin-2-one?
4-(trifluoromethoxy)pyrrolidin-2-one has a molecular weight of 169.10 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)pyrrolidin-2-one is sourced from PubChem (CID 123668486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).