1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one

C8H12F3NO2 — CID 63901489

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one
SMILESO=C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)5-12-3-1-6(13)2-4-12/h7,14H,1-5H2
InChIKeyYTTIJFMOPFYRHD-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.57
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one

1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one (PubChem CID 63901489) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one
PubChem CID63901489
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one
SMILESO=C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)5-12-3-1-6(13)2-4-12/h7,14H,1-5H2
InChIKeyYTTIJFMOPFYRHD-UHFFFAOYSA-N
XLogP0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one (CID 63901489) is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one is O=C1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one?
The InChIKey is YTTIJFMOPFYRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(14)5-12-3-1-6(13)2-4-12/h7,14H,1-5H2.
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one?
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one has a molecular weight of 211.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-one is sourced from PubChem (CID 63901489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).