8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C15H22F3N3O — CID 70829212

IUPAC8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=C(C1CCC(C(F)(F)F)CC1)NC2=O
InChIInChI=1S/C15H22F3N3O/c1-21-8-6-14(7-9-21)13(22)19-12(20-14)10-2-4-11(5-3-10)15(16,17)18/h10-11H,2-9H2,1H3,(H,19,20,22)
InChIKeyFCOGZNNXMZMPKS-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.35
Rot. Bonds1

About 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70829212) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70829212
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=C(C1CCC(C(F)(F)F)CC1)NC2=O
InChIInChI=1S/C15H22F3N3O/c1-21-8-6-14(7-9-21)13(22)19-12(20-14)10-2-4-11(5-3-10)15(16,17)18/h10-11H,2-9H2,1H3,(H,19,20,22)
InChIKeyFCOGZNNXMZMPKS-UHFFFAOYSA-N
XLogP2.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70829212) is 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN1CCC2(CC1)N=C(C1CCC(C(F)(F)F)CC1)NC2=O.
What is the InChIKey of 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is FCOGZNNXMZMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-21-8-6-14(7-9-21)13(22)19-12(20-14)10-2-4-11(5-3-10)15(16,17)18/h10-11H,2-9H2,1H3,(H,19,20,22).
What are the key properties of 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 317.36 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70829212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).