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

C8H13F2NO — CID 67255398

IUPAC4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(CC(F)F)CC1=O
InChIInChI=1S/C8H13F2NO/c1-2-11-5-6(3-7(9)10)4-8(11)12/h6-7H,2-5H2,1H3
InChIKeyQACMZLAZJCXIHH-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds3

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

4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one (PubChem CID 67255398) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
PubChem CID67255398
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(CC(F)F)CC1=O
InChIInChI=1S/C8H13F2NO/c1-2-11-5-6(3-7(9)10)4-8(11)12/h6-7H,2-5H2,1H3
InChIKeyQACMZLAZJCXIHH-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
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
1-Tert-butyl-4-ethylpyrrolidin-2-one
CID 85681495
(4R)-4-ethyl-1-methylpyrrolidin-2-one
CID 93499522
5-Methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
CID 10679320
N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide
CID 12686759
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
N,N-Diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide
CID 23266384
3-Fluoro-1-isobutylpyrrolidin-2-one
CID 45088612

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one (CID 67255398) is 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one is CCN1CC(CC(F)F)CC1=O.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The InChIKey is QACMZLAZJCXIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-11-5-6(3-7(9)10)4-8(11)12/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
4-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one has a molecular weight of 177.19 g/mol, XLogP of 1.51, 3 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-ethylpyrrolidin-2-one is sourced from PubChem (CID 67255398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).