3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane

C10H19F2NO — CID 177136285

IUPAC3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
SMILESCC.CC(C)CC1CNC(=O)C1(F)F
InChIInChI=1S/C8H13F2NO.C2H6/c1-5(2)3-6-4-11-7(12)8(6,9)10;1-2/h5-6H,3-4H2,1-2H3,(H,11,12);1-2H3
InChIKeyQPRADADHNJOOOE-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.44
Rot. Bonds2

About 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane

3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane (PubChem CID 177136285) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
PubChem CID177136285
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
SMILESCC.CC(C)CC1CNC(=O)C1(F)F
InChIInChI=1S/C8H13F2NO.C2H6/c1-5(2)3-6-4-11-7(12)8(6,9)10;1-2/h5-6H,3-4H2,1-2H3,(H,11,12);1-2H3
InChIKeyQPRADADHNJOOOE-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-4-methylpyrrolidin-2-one;ethane
CID 162680874
(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one
CID 162574237
4-ethyl-3,3-dimethylpyrrolidin-2-one
CID 144542846
2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one
CID 15273685
1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclobutane
CID 157031904
3,3-dimethyl-4-propylpyrrolidin-2-one
CID 89424311
(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
CID 175917737
(5S)-5-(2-methylpropyl)piperidin-2-one
CID 172505692
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
(3R)-5,5-dimethyl-3-(2-methylpropyl)piperazin-2-one
CID 92975056
(7S)-7-(2-methylpropyl)-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 11820437
3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64883856

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane?
The IUPAC name of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane (CID 177136285) is 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane.
What is the SMILES notation for 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane?
The canonical SMILES for 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane is CC.CC(C)CC1CNC(=O)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane?
The InChIKey is QPRADADHNJOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C2H6/c1-5(2)3-6-4-11-7(12)8(6,9)10;1-2/h5-6H,3-4H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane?
3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane has a molecular weight of 207.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane is sourced from PubChem (CID 177136285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).