1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C13H21F3N2O2 — CID 103209527

IUPAC1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCNCC12CCCCC2
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-20-8-11(19)18-7-6-17-9-12(18)4-2-1-3-5-12/h17H,1-10H2
InChIKeyUAFGUXLSWHDTDR-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.70
Rot. Bonds3

About 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103209527) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103209527
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCNCC12CCCCC2
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-20-8-11(19)18-7-6-17-9-12(18)4-2-1-3-5-12/h17H,1-10H2
InChIKeyUAFGUXLSWHDTDR-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103209527) is 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCNCC12CCCCC2.
What is the InChIKey of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is UAFGUXLSWHDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-20-8-11(19)18-7-6-17-9-12(18)4-2-1-3-5-12/h17H,1-10H2.
What are the key properties of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 294.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103209527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).