1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one

C20H23F3N2O — CID 69120817

IUPAC1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
SMILESCn1c2c(c(=O)n1Cc1ccccc1C(F)(F)F)C1CCC2(C)C1(C)C
InChIInChI=1S/C20H23F3N2O/c1-18(2)14-9-10-19(18,3)16-15(14)17(26)25(24(16)4)11-12-7-5-6-8-13(12)20(21,22)23/h5-8,14H,9-11H2,1-4H3
InChIKeyVYKHHRFZDHVGDQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.43
Rot. Bonds2

About 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one

1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one (PubChem CID 69120817) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one.

Molecular Properties

Compound Name1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
PubChem CID69120817
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
SMILESCn1c2c(c(=O)n1Cc1ccccc1C(F)(F)F)C1CCC2(C)C1(C)C
InChIInChI=1S/C20H23F3N2O/c1-18(2)14-9-10-19(18,3)16-15(14)17(26)25(24(16)4)11-12-7-5-6-8-13(12)20(21,22)23/h5-8,14H,9-11H2,1-4H3
InChIKeyVYKHHRFZDHVGDQ-UHFFFAOYSA-N
XLogP4.43
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
The IUPAC name of 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one (CID 69120817) is 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one.
What is the SMILES notation for 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
The canonical SMILES for 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one is Cn1c2c(c(=O)n1Cc1ccccc1C(F)(F)F)C1CCC2(C)C1(C)C.
What is the InChIKey of 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
The InChIKey is VYKHHRFZDHVGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-18(2)14-9-10-19(18,3)16-15(14)17(26)25(24(16)4)11-12-7-5-6-8-13(12)20(21,22)23/h5-8,14H,9-11H2,1-4H3.
What are the key properties of 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one?
1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one has a molecular weight of 364.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,10,10-tetramethyl-4-[[2-(trifluoromethyl)phenyl]methyl]-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one is sourced from PubChem (CID 69120817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).