3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one

C8H13F2NO2 — CID 130126952

IUPAC3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(O)CC(F)(F)C1=O
InChIInChI=1S/C8H13F2NO2/c1-5(2)11-4-6(12)3-8(9,10)7(11)13/h5-6,12H,3-4H2,1-2H3
InChIKeyIXDCUMPMTFEZJN-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.62
Rot. Bonds1

About 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one

3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one (PubChem CID 130126952) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one
PubChem CID130126952
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(O)CC(F)(F)C1=O
InChIInChI=1S/C8H13F2NO2/c1-5(2)11-4-6(12)3-8(9,10)7(11)13/h5-6,12H,3-4H2,1-2H3
InChIKeyIXDCUMPMTFEZJN-UHFFFAOYSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.62
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-hydroxy-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one (CID 130126952) is 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one is CC(C)N1CC(O)CC(F)(F)C1=O.
What is the InChIKey of 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one?
The InChIKey is IXDCUMPMTFEZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(2)11-4-6(12)3-8(9,10)7(11)13/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one?
3,3-difluoro-5-hydroxy-1-propan-2-ylpiperidin-2-one has a molecular weight of 193.19 g/mol, XLogP of 0.62, 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-hydroxy-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 130126952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).