4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one

C8H11F3N2O — CID 178098907

IUPAC4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one
SMILESCN1C(=O)N(CC(F)(F)F)CC12CC2
InChIInChI=1S/C8H11F3N2O/c1-12-6(14)13(5-8(9,10)11)4-7(12)2-3-7/h2-5H2,1H3
InChIKeyUVCPKEOUUMEYBR-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.45
Rot. Bonds1

About 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one

4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one (PubChem CID 178098907) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one
PubChem CID178098907
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one
SMILESCN1C(=O)N(CC(F)(F)F)CC12CC2
InChIInChI=1S/C8H11F3N2O/c1-12-6(14)13(5-8(9,10)11)4-7(12)2-3-7/h2-5H2,1H3
InChIKeyUVCPKEOUUMEYBR-UHFFFAOYSA-N
XLogP1.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
The IUPAC name of 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one (CID 178098907) is 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one.
What is the SMILES notation for 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
The canonical SMILES for 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one is CN1C(=O)N(CC(F)(F)F)CC12CC2.
What is the InChIKey of 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
The InChIKey is UVCPKEOUUMEYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-12-6(14)13(5-8(9,10)11)4-7(12)2-3-7/h2-5H2,1H3.
What are the key properties of 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one?
4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one has a molecular weight of 208.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-5-one is sourced from PubChem (CID 178098907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).