1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one

C8H13F2NO2 — CID 106172568

IUPAC1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one
SMILESO=C1CCCCN1CC(F)(F)CO
InChIInChI=1S/C8H13F2NO2/c9-8(10,6-12)5-11-4-2-1-3-7(11)13/h12H,1-6H2
InChIKeyCMKIBHQBTJBKGF-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.63
Rot. Bonds3

About 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one

1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one (PubChem CID 106172568) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one
PubChem CID106172568
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one
SMILESO=C1CCCCN1CC(F)(F)CO
InChIInChI=1S/C8H13F2NO2/c9-8(10,6-12)5-11-4-2-1-3-7(11)13/h12H,1-6H2
InChIKeyCMKIBHQBTJBKGF-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one (CID 106172568) is 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one is O=C1CCCCN1CC(F)(F)CO.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one?
The InChIKey is CMKIBHQBTJBKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10,6-12)5-11-4-2-1-3-7(11)13/h12H,1-6H2.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one?
1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one has a molecular weight of 193.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)piperidin-2-one is sourced from PubChem (CID 106172568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).