1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone

C8H12F3NO2 — CID 118219117

IUPAC1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c1-6(13)12-4-2-7(14,3-5-12)8(9,10)11/h14H,2-5H2,1H3
InChIKeyCLHLRYFYJHGWLH-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.92
Rot. Bonds

About 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone

1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 118219117) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID118219117
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c1-6(13)12-4-2-7(14,3-5-12)8(9,10)11/h14H,2-5H2,1H3
InChIKeyCLHLRYFYJHGWLH-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 118219117) is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is CLHLRYFYJHGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-6(13)12-4-2-7(14,3-5-12)8(9,10)11/h14H,2-5H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 211.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118219117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).