(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one

C10H16F2N2O — CID 67157820

IUPAC(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-5-14(6-4-10)7-8-1-2-9(15)13-8/h8H,1-7H2,(H,13,15)/t8-/m0/s1
InChIKeyIYGOLZCMQKAFAO-QMMMGPOBSA-N
MW218.25 g/mol
LogP1.00
Rot. Bonds2

About (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one

(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 67157820) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID67157820
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-5-14(6-4-10)7-8-1-2-9(15)13-8/h8H,1-7H2,(H,13,15)/t8-/m0/s1
InChIKeyIYGOLZCMQKAFAO-QMMMGPOBSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one (CID 67157820) is (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one is O=C1CC[C@@H](CN2CCC(F)(F)CC2)N1.
What is the InChIKey of (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is IYGOLZCMQKAFAO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)3-5-14(6-4-10)7-8-1-2-9(15)13-8/h8H,1-7H2,(H,13,15)/t8-/m0/s1.
What are the key properties of (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one?
(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 218.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 67157820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).