4-(difluoromethoxy)pyrrolidin-2-one

C5H7F2NO2 — CID 175725658

IUPAC4-(difluoromethoxy)pyrrolidin-2-one
SMILESO=C1CC(OC(F)F)CN1
InChIInChI=1S/C5H7F2NO2/c6-5(7)10-3-1-4(9)8-2-3/h3,5H,1-2H2,(H,8,9)
InChIKeyGUSNEAGLJTVBMP-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.11
Rot. Bonds2

About 4-(difluoromethoxy)pyrrolidin-2-one

4-(difluoromethoxy)pyrrolidin-2-one (PubChem CID 175725658) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 4-(difluoromethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethoxy)pyrrolidin-2-one
PubChem CID175725658
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name4-(difluoromethoxy)pyrrolidin-2-one
SMILESO=C1CC(OC(F)F)CN1
InChIInChI=1S/C5H7F2NO2/c6-5(7)10-3-1-4(9)8-2-3/h3,5H,1-2H2,(H,8,9)
InChIKeyGUSNEAGLJTVBMP-UHFFFAOYSA-N
XLogP0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)pyrrolidin-2-one?
The IUPAC name of 4-(difluoromethoxy)pyrrolidin-2-one (CID 175725658) is 4-(difluoromethoxy)pyrrolidin-2-one.
What is the SMILES notation for 4-(difluoromethoxy)pyrrolidin-2-one?
The canonical SMILES for 4-(difluoromethoxy)pyrrolidin-2-one is O=C1CC(OC(F)F)CN1.
What is the InChIKey of 4-(difluoromethoxy)pyrrolidin-2-one?
The InChIKey is GUSNEAGLJTVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)10-3-1-4(9)8-2-3/h3,5H,1-2H2,(H,8,9).
What are the key properties of 4-(difluoromethoxy)pyrrolidin-2-one?
4-(difluoromethoxy)pyrrolidin-2-one has a molecular weight of 151.11 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)pyrrolidin-2-one is sourced from PubChem (CID 175725658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).