5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one

C7H11F2NO — CID 67255926

IUPAC5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CC(F)F
InChIInChI=1S/C7H11F2NO/c1-10-5(4-6(8)9)2-3-7(10)11/h5-6H,2-4H2,1H3
InChIKeyMZGNJRLWEHHEBH-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.26
Rot. Bonds2

About 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one

5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one (PubChem CID 67255926) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one
PubChem CID67255926
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CC(F)F
InChIInChI=1S/C7H11F2NO/c1-10-5(4-6(8)9)2-3-7(10)11/h5-6H,2-4H2,1H3
InChIKeyMZGNJRLWEHHEBH-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one (CID 67255926) is 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one is CN1C(=O)CCC1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
The InChIKey is MZGNJRLWEHHEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-10-5(4-6(8)9)2-3-7(10)11/h5-6H,2-4H2,1H3.
What are the key properties of 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
5-(2,2-difluoroethyl)-1-methylpyrrolidin-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 5-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 67255926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).