2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one

C8H13F2NO2 — CID 58122754

IUPAC2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(F)(F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)7(13)11-4-2-6(12)3-5-11/h6,12H,2-5H2,1H3
InChIKeyBEDLTKTTXGOYSC-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.62
Rot. Bonds1

About 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one

2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 58122754) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID58122754
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(F)(F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)7(13)11-4-2-6(12)3-5-11/h6,12H,2-5H2,1H3
InChIKeyBEDLTKTTXGOYSC-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 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 58122754) is 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one is CC(F)(F)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is BEDLTKTTXGOYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(9,10)7(13)11-4-2-6(12)3-5-11/h6,12H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one?
2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-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 2,2-difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 58122754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).