ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one

C11H19F3N2O2 — CID 145047421

IUPACethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
SMILESCC.CN1CC2(CCN(CC(F)(F)F)C(=O)O2)C1
InChIInChI=1S/C9H13F3N2O2.C2H6/c1-13-4-8(5-13)2-3-14(7(15)16-8)6-9(10,11)12;1-2/h2-6H2,1H3;1-2H3
InChIKeySFKKUARIARBBGK-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.10
Rot. Bonds1

About ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one

ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one (PubChem CID 145047421) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Nameethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
PubChem CID145047421
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nameethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
SMILESCC.CN1CC2(CCN(CC(F)(F)F)C(=O)O2)C1
InChIInChI=1S/C9H13F3N2O2.C2H6/c1-13-4-8(5-13)2-3-14(7(15)16-8)6-9(10,11)12;1-2/h2-6H2,1H3;1-2H3
InChIKeySFKKUARIARBBGK-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
The IUPAC name of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one (CID 145047421) is ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one.
What is the SMILES notation for ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
The canonical SMILES for ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one is CC.CN1CC2(CCN(CC(F)(F)F)C(=O)O2)C1.
What is the InChIKey of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
The InChIKey is SFKKUARIARBBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2.C2H6/c1-13-4-8(5-13)2-3-14(7(15)16-8)6-9(10,11)12;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one has a molecular weight of 268.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one is sourced from PubChem (CID 145047421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).