4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one

C7H11F2NO — CID 177014092

IUPAC4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one
SMILESCCC1C(C)NC(=O)C1(F)F
InChIInChI=1S/C7H11F2NO/c1-3-5-4(2)10-6(11)7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyXUYCLWATNSNUSP-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.17
Rot. Bonds1

About 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one

4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one (PubChem CID 177014092) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one
PubChem CID177014092
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one
SMILESCCC1C(C)NC(=O)C1(F)F
InChIInChI=1S/C7H11F2NO/c1-3-5-4(2)10-6(11)7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyXUYCLWATNSNUSP-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-diethyl-1,1-difluorocyclopropane
CID 24974569
ethane;6-methyl-5-azaspiro[2.4]heptan-4-one
CID 178006224
ethane;5-ethyl-1,3-diazinane-2,4,6-trione
CID 142836832
4-ethyl-5-methylimidazolidin-2-one
CID 22042260
3,3-difluoro-4-methylpyrrolidin-2-one;ethane
CID 162680874
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64883670
(7R)-7-methyl-6-azaspiro[3.4]octan-5-one
CID 155819762
4-methoxy-3,3,5-trimethylpyrrolidin-2-one
CID 130010210
6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one
CID 170016097
(6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione
CID 26974624
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one?
The IUPAC name of 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one (CID 177014092) is 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one is CCC1C(C)NC(=O)C1(F)F.
What is the InChIKey of 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one?
The InChIKey is XUYCLWATNSNUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-3-5-4(2)10-6(11)7(5,8)9/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one?
4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one is sourced from PubChem (CID 177014092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).