3-(difluoromethyl)pyrrolidin-2-one

C5H7F2NO — CID 67256415

IUPAC3-(difluoromethyl)pyrrolidin-2-one
SMILESO=C1NCCC1C(F)F
InChIInChI=1S/C5H7F2NO/c6-4(7)3-1-2-8-5(3)9/h3-4H,1-2H2,(H,8,9)
InChIKeyODPCYGQPELFVIU-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.39
Rot. Bonds1

About 3-(difluoromethyl)pyrrolidin-2-one

3-(difluoromethyl)pyrrolidin-2-one (PubChem CID 67256415) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)pyrrolidin-2-one
PubChem CID67256415
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name3-(difluoromethyl)pyrrolidin-2-one
SMILESO=C1NCCC1C(F)F
InChIInChI=1S/C5H7F2NO/c6-4(7)3-1-2-8-5(3)9/h3-4H,1-2H2,(H,8,9)
InChIKeyODPCYGQPELFVIU-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyrrolidin-2-one?
The IUPAC name of 3-(difluoromethyl)pyrrolidin-2-one (CID 67256415) is 3-(difluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(difluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(difluoromethyl)pyrrolidin-2-one is O=C1NCCC1C(F)F.
What is the InChIKey of 3-(difluoromethyl)pyrrolidin-2-one?
The InChIKey is ODPCYGQPELFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-4(7)3-1-2-8-5(3)9/h3-4H,1-2H2,(H,8,9).
What are the key properties of 3-(difluoromethyl)pyrrolidin-2-one?
3-(difluoromethyl)pyrrolidin-2-one has a molecular weight of 135.11 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 67256415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).