2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

C8H12F3NO2 — CID 103900578

IUPAC2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(F)(F)F)CC1O
InChIInChI=1S/C8H12F3NO2/c1-5-2-3-12(4-6(5)13)7(14)8(9,10)11/h5-6,13H,2-4H2,1H3
InChIKeyAHIQXUNGLIEZIZ-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.78
Rot. Bonds

About 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 103900578) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID103900578
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)C(F)(F)F)CC1O
InChIInChI=1S/C8H12F3NO2/c1-5-2-3-12(4-6(5)13)7(14)8(9,10)11/h5-6,13H,2-4H2,1H3
InChIKeyAHIQXUNGLIEZIZ-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 103900578) is 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)C(F)(F)F)CC1O.
What is the InChIKey of 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is AHIQXUNGLIEZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5-2-3-12(4-6(5)13)7(14)8(9,10)11/h5-6,13H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 211.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103900578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).