5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one

C8H10F3NO — CID 10679320

IUPAC5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
SMILESCN1CCC2(CC2C(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO/c1-12-3-2-7(6(12)13)4-5(7)8(9,10)11/h5H,2-4H2,1H3
InChIKeyJHHCTGLNORDRRK-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.42
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one

5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one (PubChem CID 10679320) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
PubChem CID10679320
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
SMILESCN1CCC2(CC2C(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO/c1-12-3-2-7(6(12)13)4-5(7)8(9,10)11/h5H,2-4H2,1H3
InChIKeyJHHCTGLNORDRRK-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one?
The IUPAC name of 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one (CID 10679320) is 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one is CN1CCC2(CC2C(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one?
The InChIKey is JHHCTGLNORDRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-12-3-2-7(6(12)13)4-5(7)8(9,10)11/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one?
5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one has a molecular weight of 193.17 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one is sourced from PubChem (CID 10679320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).