(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one

C8H13F2NO — CID 162574237

IUPAC(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)C[C@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C8H13F2NO/c1-5(2)3-6-4-8(9,10)7(12)11-6/h5-6H,3-4H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyYBPJRTLDIDHCAX-LURJTMIESA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds2

About (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one

(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 162574237) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID162574237
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)C[C@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C8H13F2NO/c1-5(2)3-6-4-8(9,10)7(12)11-6/h5-6H,3-4H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyYBPJRTLDIDHCAX-LURJTMIESA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
(5S)-3,3-difluoro-5-(methylsulfanylmethyl)pyrrolidin-2-one
CID 174285479
3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 135231042
(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one
CID 167119865
3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
CID 177136285
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
4,4-difluoro-2-(2-methylpropyl)piperidine
CID 84767422
(4R)-1-cyclopentyl-4-(2-methylpropyl)imidazolidin-2-one
CID 141171803
(6R)-6-(2-methylpropyl)piperidin-3-one
CID 159496967
(5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one
CID 124705409
1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclobutane
CID 157031904
3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64883856

Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one (CID 162574237) is (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)C[C@H]1CC(F)(F)C(=O)N1.
What is the InChIKey of (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is YBPJRTLDIDHCAX-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5(2)3-6-4-8(9,10)7(12)11-6/h5-6H,3-4H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one?
(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 177.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 162574237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).