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

C7H11F2NO — CID 67260214

IUPAC3-(difluoromethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CCC(C(F)F)C1=O
InChIInChI=1S/C7H11F2NO/c1-2-10-4-3-5(6(8)9)7(10)11/h5-6H,2-4H2,1H3
InChIKeyYHVNULWWXNGOQI-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.12
Rot. Bonds2

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

3-(difluoromethyl)-1-ethylpyrrolidin-2-one (PubChem CID 67260214) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1-ethylpyrrolidin-2-one
PubChem CID67260214
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3-(difluoromethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CCC(C(F)F)C1=O
InChIInChI=1S/C7H11F2NO/c1-2-10-4-3-5(6(8)9)7(10)11/h5-6H,2-4H2,1H3
InChIKeyYHVNULWWXNGOQI-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

1,3-Dimethylpyrrolidin-2-one
CID 209257
1-Isobutylpyrrolidin-2-one
CID 3772287
3,3-Difluoro-1-methylpyrrolidin-2-one
CID 45087645
US10214537, Example 161
CID 86201975
2-Pyrrolidinone, 3-fluoro-1-methyl-
CID 11815845
1-Ethyl-4-methylpyrrolidin-2-one
CID 10796755
2,2,2-Trifluoro-1-(3-methylpyrrolidin-1-yl)ethan-1-one
CID 45080837
N-butyl-2-methyl-N-(trifluoromethyl)butanamide
CID 44550872
3,3,3-Trifluoro-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 146165161
(4S)-1,4-dimethylpyrrolidin-2-one
CID 14417042
1-(3-Methylbutyl)pyrrolidin-2-one
CID 20389523
1-(2-Methylbutyl)pyrrolidin-2-one
CID 89658712

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 3-(difluoromethyl)-1-ethylpyrrolidin-2-one (CID 67260214) is 3-(difluoromethyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 3-(difluoromethyl)-1-ethylpyrrolidin-2-one is CCN1CCC(C(F)F)C1=O.
What is the InChIKey of 3-(difluoromethyl)-1-ethylpyrrolidin-2-one?
The InChIKey is YHVNULWWXNGOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-2-10-4-3-5(6(8)9)7(10)11/h5-6H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-ethylpyrrolidin-2-one?
3-(difluoromethyl)-1-ethylpyrrolidin-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 3-(difluoromethyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 67260214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).