1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C11H17F3N2O — CID 126758507

IUPAC1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C11H17F3N2O/c1-9(17)16-6-10(7-16)2-4-15(5-3-10)8-11(12,13)14/h2-8H2,1H3
InChIKeyDAIOKOQDQRBOLM-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.49
Rot. Bonds1

About 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 126758507) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID126758507
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C11H17F3N2O/c1-9(17)16-6-10(7-16)2-4-15(5-3-10)8-11(12,13)14/h2-8H2,1H3
InChIKeyDAIOKOQDQRBOLM-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 126758507) is 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is CC(=O)N1CC2(CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is DAIOKOQDQRBOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-9(17)16-6-10(7-16)2-4-15(5-3-10)8-11(12,13)14/h2-8H2,1H3.
What are the key properties of 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 250.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 126758507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).