1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C15H21F3N2 — CID 71204395

IUPAC1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC(C)n1nc(C(F)(F)F)c2c1C1(C)CCC2C1(C)C
InChIInChI=1S/C15H21F3N2/c1-8(2)20-12-10(11(19-20)15(16,17)18)9-6-7-14(12,5)13(9,3)4/h8-9H,6-7H2,1-5H3
InChIKeySDGPEIJUZWXQMU-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.66
Rot. Bonds1

About 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 71204395) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID71204395
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC(C)n1nc(C(F)(F)F)c2c1C1(C)CCC2C1(C)C
InChIInChI=1S/C15H21F3N2/c1-8(2)20-12-10(11(19-20)15(16,17)18)9-6-7-14(12,5)13(9,3)4/h8-9H,6-7H2,1-5H3
InChIKeySDGPEIJUZWXQMU-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene 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 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 71204395) is 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC(C)n1nc(C(F)(F)F)c2c1C1(C)CCC2C1(C)C.
What is the InChIKey of 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is SDGPEIJUZWXQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-8(2)20-12-10(11(19-20)15(16,17)18)9-6-7-14(12,5)13(9,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 286.34 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 71204395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).