1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone

C9H14F3NO2 — CID 146149879

IUPAC1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(COC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13-4-2-3-8(5-13)6-15-9(10,11)12/h8H,2-6H2,1H3
InChIKeyHUQLIPNIRJJQNH-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.78
Rot. Bonds2

About 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone

1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 146149879) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone
PubChem CID146149879
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(COC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13-4-2-3-8(5-13)6-15-9(10,11)12/h8H,2-6H2,1H3
InChIKeyHUQLIPNIRJJQNH-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone (CID 146149879) is 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(COC(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is HUQLIPNIRJJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(14)13-4-2-3-8(5-13)6-15-9(10,11)12/h8H,2-6H2,1H3.
What are the key properties of 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone?
1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 225.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 146149879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).