3,3-difluoro-1-propylpyrrolidin-2-one

C7H11F2NO — CID 167273930

IUPAC3,3-difluoro-1-propylpyrrolidin-2-one
SMILESCCCN1CCC(F)(F)C1=O
InChIInChI=1S/C7H11F2NO/c1-2-4-10-5-3-7(8,9)6(10)11/h2-5H2,1H3
InChIKeyLNLIZWNWUAWLDC-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.26
Rot. Bonds2

About 3,3-difluoro-1-propylpyrrolidin-2-one

3,3-difluoro-1-propylpyrrolidin-2-one (PubChem CID 167273930) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 3,3-difluoro-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-propylpyrrolidin-2-one
PubChem CID167273930
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3,3-difluoro-1-propylpyrrolidin-2-one
SMILESCCCN1CCC(F)(F)C1=O
InChIInChI=1S/C7H11F2NO/c1-2-4-10-5-3-7(8,9)6(10)11/h2-5H2,1H3
InChIKeyLNLIZWNWUAWLDC-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1-propylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propylpyrrolidin-2-one?
The IUPAC name of 3,3-difluoro-1-propylpyrrolidin-2-one (CID 167273930) is 3,3-difluoro-1-propylpyrrolidin-2-one.
What is the SMILES notation for 3,3-difluoro-1-propylpyrrolidin-2-one?
The canonical SMILES for 3,3-difluoro-1-propylpyrrolidin-2-one is CCCN1CCC(F)(F)C1=O.
What is the InChIKey of 3,3-difluoro-1-propylpyrrolidin-2-one?
The InChIKey is LNLIZWNWUAWLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-2-4-10-5-3-7(8,9)6(10)11/h2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-propylpyrrolidin-2-one?
3,3-difluoro-1-propylpyrrolidin-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propylpyrrolidin-2-one is sourced from PubChem (CID 167273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).