3,3-difluoro-5-methoxypiperidin-2-one

C6H9F2NO2 — CID 121247090

IUPAC3,3-difluoro-5-methoxypiperidin-2-one
SMILESCOC1CNC(=O)C(F)(F)C1
InChIInChI=1S/C6H9F2NO2/c1-11-4-2-6(7,8)5(10)9-3-4/h4H,2-3H2,1H3,(H,9,10)
InChIKeyMUFCPTSKDQRTCW-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.16
Rot. Bonds1

About 3,3-difluoro-5-methoxypiperidin-2-one

3,3-difluoro-5-methoxypiperidin-2-one (PubChem CID 121247090) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 3,3-difluoro-5-methoxypiperidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-methoxypiperidin-2-one
PubChem CID121247090
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name3,3-difluoro-5-methoxypiperidin-2-one
SMILESCOC1CNC(=O)C(F)(F)C1
InChIInChI=1S/C6H9F2NO2/c1-11-4-2-6(7,8)5(10)9-3-4/h4H,2-3H2,1H3,(H,9,10)
InChIKeyMUFCPTSKDQRTCW-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methoxypiperidin-2-one?
The IUPAC name of 3,3-difluoro-5-methoxypiperidin-2-one (CID 121247090) is 3,3-difluoro-5-methoxypiperidin-2-one.
What is the SMILES notation for 3,3-difluoro-5-methoxypiperidin-2-one?
The canonical SMILES for 3,3-difluoro-5-methoxypiperidin-2-one is COC1CNC(=O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-5-methoxypiperidin-2-one?
The InChIKey is MUFCPTSKDQRTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-11-4-2-6(7,8)5(10)9-3-4/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 3,3-difluoro-5-methoxypiperidin-2-one?
3,3-difluoro-5-methoxypiperidin-2-one has a molecular weight of 165.14 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methoxypiperidin-2-one is sourced from PubChem (CID 121247090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).