3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C13H19F3N2O — CID 163450839

IUPAC3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESC=C(CCC(F)(F)F)N1CCC2(CC1)CC(C)=NO2
InChIInChI=1S/C13H19F3N2O/c1-10-9-12(19-17-10)5-7-18(8-6-12)11(2)3-4-13(14,15)16/h2-9H2,1H3
InChIKeyBGLTUFLIVUPYLI-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.47
Rot. Bonds3

About 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 163450839) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID163450839
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESC=C(CCC(F)(F)F)N1CCC2(CC1)CC(C)=NO2
InChIInChI=1S/C13H19F3N2O/c1-10-9-12(19-17-10)5-7-18(8-6-12)11(2)3-4-13(14,15)16/h2-9H2,1H3
InChIKeyBGLTUFLIVUPYLI-UHFFFAOYSA-N
XLogP3.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 163450839) is 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is C=C(CCC(F)(F)F)N1CCC2(CC1)CC(C)=NO2.
What is the InChIKey of 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is BGLTUFLIVUPYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-10-9-12(19-17-10)5-7-18(8-6-12)11(2)3-4-13(14,15)16/h2-9H2,1H3.
What are the key properties of 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 276.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(5,5,5-trifluoropent-1-en-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 163450839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).