3,3-difluoro-4-methylpyrrolidin-2-one;ethane

C9H19F2NO — CID 162680874

IUPAC3,3-difluoro-4-methylpyrrolidin-2-one;ethane
SMILESCC.CC.CC1CNC(=O)C1(F)F
InChIInChI=1S/C5H7F2NO.2C2H6/c1-3-2-8-4(9)5(3,6)7;2*1-2/h3H,2H2,1H3,(H,8,9);2*1-2H3
InChIKeyWRLPOJIDTNBXMD-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.44
Rot. Bonds

About 3,3-difluoro-4-methylpyrrolidin-2-one;ethane

3,3-difluoro-4-methylpyrrolidin-2-one;ethane (PubChem CID 162680874) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3,3-difluoro-4-methylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-methylpyrrolidin-2-one;ethane
PubChem CID162680874
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3,3-difluoro-4-methylpyrrolidin-2-one;ethane
SMILESCC.CC.CC1CNC(=O)C1(F)F
InChIInChI=1S/C5H7F2NO.2C2H6/c1-3-2-8-4(9)5(3,6)7;2*1-2/h3H,2H2,1H3,(H,8,9);2*1-2H3
InChIKeyWRLPOJIDTNBXMD-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
CID 175917737
3,3-dichloro-4-methylpyrrolidin-2-one
CID 15408499
3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
CID 177136285
ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 144543085
[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile
CID 155905032
3,3,4,4-tetrafluoropyrrolidin-2-one
CID 130608310
ethane;6-methyl-5-azaspiro[2.4]heptan-4-one
CID 178006224
(1S,6S)-6-fluoro-7-methyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 131190565
4-ethyl-3,3-dimethylpyrrolidin-2-one
CID 144542846
5-amino-3,3-dimethylpiperidin-2-one
CID 131610906
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylpyrrolidin-2-one;ethane?
The IUPAC name of 3,3-difluoro-4-methylpyrrolidin-2-one;ethane (CID 162680874) is 3,3-difluoro-4-methylpyrrolidin-2-one;ethane.
What is the SMILES notation for 3,3-difluoro-4-methylpyrrolidin-2-one;ethane?
The canonical SMILES for 3,3-difluoro-4-methylpyrrolidin-2-one;ethane is CC.CC.CC1CNC(=O)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylpyrrolidin-2-one;ethane?
The InChIKey is WRLPOJIDTNBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO.2C2H6/c1-3-2-8-4(9)5(3,6)7;2*1-2/h3H,2H2,1H3,(H,8,9);2*1-2H3.
What are the key properties of 3,3-difluoro-4-methylpyrrolidin-2-one;ethane?
3,3-difluoro-4-methylpyrrolidin-2-one;ethane has a molecular weight of 195.25 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylpyrrolidin-2-one;ethane is sourced from PubChem (CID 162680874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).