3,3-difluoro-5-propan-2-yloxypiperidin-2-one

C8H13F2NO2 — CID 135291707

IUPAC3,3-difluoro-5-propan-2-yloxypiperidin-2-one
SMILESCC(C)OC1CNC(=O)C(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(2)13-6-3-8(9,10)7(12)11-4-6/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyUBOWEIQTQWQUOL-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.94
Rot. Bonds2

About 3,3-difluoro-5-propan-2-yloxypiperidin-2-one

3,3-difluoro-5-propan-2-yloxypiperidin-2-one (PubChem CID 135291707) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-5-propan-2-yloxypiperidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-propan-2-yloxypiperidin-2-one
PubChem CID135291707
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-5-propan-2-yloxypiperidin-2-one
SMILESCC(C)OC1CNC(=O)C(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(2)13-6-3-8(9,10)7(12)11-4-6/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyUBOWEIQTQWQUOL-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.94
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-propan-2-yloxypiperidin-2-one?
The IUPAC name of 3,3-difluoro-5-propan-2-yloxypiperidin-2-one (CID 135291707) is 3,3-difluoro-5-propan-2-yloxypiperidin-2-one.
What is the SMILES notation for 3,3-difluoro-5-propan-2-yloxypiperidin-2-one?
The canonical SMILES for 3,3-difluoro-5-propan-2-yloxypiperidin-2-one is CC(C)OC1CNC(=O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-5-propan-2-yloxypiperidin-2-one?
The InChIKey is UBOWEIQTQWQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(2)13-6-3-8(9,10)7(12)11-4-6/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3,3-difluoro-5-propan-2-yloxypiperidin-2-one?
3,3-difluoro-5-propan-2-yloxypiperidin-2-one has a molecular weight of 193.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-propan-2-yloxypiperidin-2-one is sourced from PubChem (CID 135291707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).