5-(difluoromethyl)-1-methylpyrrolidin-2-one

C6H9F2NO — CID 67256606

IUPAC5-(difluoromethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(F)F
InChIInChI=1S/C6H9F2NO/c1-9-4(6(7)8)2-3-5(9)10/h4,6H,2-3H2,1H3
InChIKeyANGPHVUGEJMESF-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds1

About 5-(difluoromethyl)-1-methylpyrrolidin-2-one

5-(difluoromethyl)-1-methylpyrrolidin-2-one (PubChem CID 67256606) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-1-methylpyrrolidin-2-one
PubChem CID67256606
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name5-(difluoromethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(F)F
InChIInChI=1S/C6H9F2NO/c1-9-4(6(7)8)2-3-5(9)10/h4,6H,2-3H2,1H3
InChIKeyANGPHVUGEJMESF-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-(difluoromethyl)-1-methylpyrrolidin-2-one (CID 67256606) is 5-(difluoromethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-(difluoromethyl)-1-methylpyrrolidin-2-one is CN1C(=O)CCC1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-methylpyrrolidin-2-one?
The InChIKey is ANGPHVUGEJMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-9-4(6(7)8)2-3-5(9)10/h4,6H,2-3H2,1H3.
What are the key properties of 5-(difluoromethyl)-1-methylpyrrolidin-2-one?
5-(difluoromethyl)-1-methylpyrrolidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 67256606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).