3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one

C7H11F2NO — CID 172552188

IUPAC3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one
SMILESCN1CCC(C)(C(F)F)C1=O
InChIInChI=1S/C7H11F2NO/c1-7(5(8)9)3-4-10(2)6(7)11/h5H,3-4H2,1-2H3
InChIKeyVWCSRDMAZNPBMU-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.12
Rot. Bonds1

About 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one

3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one (PubChem CID 172552188) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one
PubChem CID172552188
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one
SMILESCN1CCC(C)(C(F)F)C1=O
InChIInChI=1S/C7H11F2NO/c1-7(5(8)9)3-4-10(2)6(7)11/h5H,3-4H2,1-2H3
InChIKeyVWCSRDMAZNPBMU-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1-methylpyrrolidin-2-one
CID 45087645
2-Pyrrolidinone, 3-fluoro-1-methyl-
CID 11815845
2,2,2-Trifluoro-1-(3-methylpyrrolidin-1-yl)ethan-1-one
CID 45080837
4-Methyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 105433259
3,3,3-Trifluoro-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 146165161
1,3,3-Trimethylpyrrolidin-2-one
CID 14361323
(2S)-1-(3,3-dimethylpyrrolidin-1-yl)-4,4-difluoro-2-methylbutan-1-one
CID 129348696
1,3,4-Trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 20813313
1,3,4-Trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
CID 21049780
1-(2,2,2-Trifluoroethyl)pyrrolidinone
CID 21076220
4-Fluoro-1-methylpyrrolidin-2-one
CID 21919457
1-(Trifluoromethyl)pyrrolidin-2-one
CID 22572621

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one?
The IUPAC name of 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one (CID 172552188) is 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one is CN1CCC(C)(C(F)F)C1=O.
What is the InChIKey of 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one?
The InChIKey is VWCSRDMAZNPBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-7(5(8)9)3-4-10(2)6(7)11/h5H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one?
3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 172552188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).