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

C6H9F2NO — CID 67254840

IUPAC3-(difluoromethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(C(F)F)C1=O
InChIInChI=1S/C6H9F2NO/c1-9-3-2-4(5(7)8)6(9)10/h4-5H,2-3H2,1H3
InChIKeyNHUSGAUSSVVSEA-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.73
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpyrrolidin-2-one

3-(difluoromethyl)-1-methylpyrrolidin-2-one (PubChem CID 67254840) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrrolidin-2-one
PubChem CID67254840
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name3-(difluoromethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(C(F)F)C1=O
InChIInChI=1S/C6H9F2NO/c1-9-3-2-4(5(7)8)6(9)10/h4-5H,2-3H2,1H3
InChIKeyNHUSGAUSSVVSEA-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrrolidin-2-one (CID 67254840) is 3-(difluoromethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrrolidin-2-one is CN1CCC(C(F)F)C1=O.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrrolidin-2-one?
The InChIKey is NHUSGAUSSVVSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-9-3-2-4(5(7)8)6(9)10/h4-5H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylpyrrolidin-2-one?
3-(difluoromethyl)-1-methylpyrrolidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 67254840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).