(5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one

C12H20F2N2O — CID 67157516

IUPAC(5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@H](CN2CCC(F)(F)CC2)NC1=O
InChIInChI=1S/C12H20F2N2O/c1-11(2)7-9(15-10(11)17)8-16-5-3-12(13,14)4-6-16/h9H,3-8H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyVSESXTHKQRZQRM-SECBINFHSA-N
MW246.30 g/mol
LogP1.63
Rot. Bonds2

About (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one

(5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one (PubChem CID 67157516) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one
PubChem CID67157516
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@H](CN2CCC(F)(F)CC2)NC1=O
InChIInChI=1S/C12H20F2N2O/c1-11(2)7-9(15-10(11)17)8-16-5-3-12(13,14)4-6-16/h9H,3-8H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyVSESXTHKQRZQRM-SECBINFHSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one (CID 67157516) is (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one is CC1(C)C[C@H](CN2CCC(F)(F)CC2)NC1=O.
What is the InChIKey of (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one?
The InChIKey is VSESXTHKQRZQRM-SECBINFHSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-11(2)7-9(15-10(11)17)8-16-5-3-12(13,14)4-6-16/h9H,3-8H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one?
(5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one has a molecular weight of 246.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 67157516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).