1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone

C10H16F3NO2 — CID 58450278

IUPAC1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
SMILESCOC(C1CCN(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(15)14-5-3-8(4-6-14)9(16-2)10(11,12)13/h8-9H,3-6H2,1-2H3
InChIKeyHGXMFMAFUVYDFY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds2

About 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone

1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone (PubChem CID 58450278) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
PubChem CID58450278
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
SMILESCOC(C1CCN(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(15)14-5-3-8(4-6-14)9(16-2)10(11,12)13/h8-9H,3-6H2,1-2H3
InChIKeyHGXMFMAFUVYDFY-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone (CID 58450278) is 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone is COC(C1CCN(C(C)=O)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone?
The InChIKey is HGXMFMAFUVYDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(15)14-5-3-8(4-6-14)9(16-2)10(11,12)13/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone?
1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58450278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).