1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C13H20F3NO2 — CID 116588548

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)9-17-8-11(18)10-3-6-19-12(7-10)4-1-2-5-12/h10,17H,1-9H2
InChIKeyHEGYDFUHPQXBCZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.45
Rot. Bonds4

About 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 116588548) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID116588548
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)9-17-8-11(18)10-3-6-19-12(7-10)4-1-2-5-12/h10,17H,1-9H2
InChIKeyHEGYDFUHPQXBCZ-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 116588548) is 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is HEGYDFUHPQXBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)9-17-8-11(18)10-3-6-19-12(7-10)4-1-2-5-12/h10,17H,1-9H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 279.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 116588548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).