4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one

C7H11F2NO — CID 67253858

IUPAC4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CC(F)F)CC1=O
InChIInChI=1S/C7H11F2NO/c1-10-4-5(2-6(8)9)3-7(10)11/h5-6H,2-4H2,1H3
InChIKeyOGVYHIWGVWXZPS-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.12
Rot. Bonds2

About 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one

4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one (PubChem CID 67253858) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one
PubChem CID67253858
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CC(F)F)CC1=O
InChIInChI=1S/C7H11F2NO/c1-10-4-5(2-6(8)9)3-7(10)11/h5-6H,2-4H2,1H3
InChIKeyOGVYHIWGVWXZPS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 11095529
5-(Difluoromethyl)-1-methylpyrrolidin-2-one
CID 67256606
Diethyl-2-pyrrolidinone
CID 58939186
(4R,5R)-1,4,5-trimethylpyrrolidin-2-one
CID 68039658
(4R)-4-ethyl-1-methylpyrrolidin-2-one
CID 93499522
5-Methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
CID 10679320
3,3,4,4,5,5,5-Heptafluoro-1-(pyrrolidin-1-yl)-2-(trifluoromethyl)pentan-1-one
CID 13196950
1-Ethyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 13602063
4-(2,2-Difluoroethyl)pyrrolidin-2-one
CID 17948934
4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one
CID 53629170
CID 57659985
CID 57659985
2,2-Difluoro-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 57700536

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one (CID 67253858) is 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one is CN1CC(CC(F)F)CC1=O.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
The InChIKey is OGVYHIWGVWXZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-10-4-5(2-6(8)9)3-7(10)11/h5-6H,2-4H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one?
4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 67253858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).