3,3-difluoro-1-methylpyrrolidin-2-one;ethane

C7H13F2NO — CID 166457940

IUPAC3,3-difluoro-1-methylpyrrolidin-2-one;ethane
SMILESCC.CN1CCC(F)(F)C1=O
InChIInChI=1S/C5H7F2NO.C2H6/c1-8-3-2-5(6,7)4(8)9;1-2/h2-3H2,1H3;1-2H3
InChIKeyVQKDETVHTCWZMV-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.51
Rot. Bonds

About 3,3-difluoro-1-methylpyrrolidin-2-one;ethane

3,3-difluoro-1-methylpyrrolidin-2-one;ethane (PubChem CID 166457940) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-methylpyrrolidin-2-one;ethane
PubChem CID166457940
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3,3-difluoro-1-methylpyrrolidin-2-one;ethane
SMILESCC.CN1CCC(F)(F)C1=O
InChIInChI=1S/C5H7F2NO.C2H6/c1-8-3-2-5(6,7)4(8)9;1-2/h2-3H2,1H3;1-2H3
InChIKeyVQKDETVHTCWZMV-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1-methylpyrrolidin-2-one;ethane 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-methylpyrrolidin-2-one;ethane?
The IUPAC name of 3,3-difluoro-1-methylpyrrolidin-2-one;ethane (CID 166457940) is 3,3-difluoro-1-methylpyrrolidin-2-one;ethane.
What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidin-2-one;ethane?
The canonical SMILES for 3,3-difluoro-1-methylpyrrolidin-2-one;ethane is CC.CN1CCC(F)(F)C1=O.
What is the InChIKey of 3,3-difluoro-1-methylpyrrolidin-2-one;ethane?
The InChIKey is VQKDETVHTCWZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO.C2H6/c1-8-3-2-5(6,7)4(8)9;1-2/h2-3H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methylpyrrolidin-2-one;ethane?
3,3-difluoro-1-methylpyrrolidin-2-one;ethane has a molecular weight of 165.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpyrrolidin-2-one;ethane is sourced from PubChem (CID 166457940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).