6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

C10H13F3N4 — CID 136841554

IUPAC6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESFC(F)(F)C1CCNc2c3c(nn21)NCCC3
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-3-5-15-9-6-2-1-4-14-8(6)16-17(7)9/h7,15H,1-5H2,(H,14,16)
InChIKeyUIILCOZYEVPDOL-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.16
Rot. Bonds

About 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (PubChem CID 136841554) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
PubChem CID136841554
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESFC(F)(F)C1CCNc2c3c(nn21)NCCC3
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-3-5-15-9-6-2-1-4-14-8(6)16-17(7)9/h7,15H,1-5H2,(H,14,16)
InChIKeyUIILCOZYEVPDOL-UHFFFAOYSA-N
XLogP2.16
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The IUPAC name of 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (CID 136841554) is 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.
What is the SMILES notation for 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The canonical SMILES for 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is FC(F)(F)C1CCNc2c3c(nn21)NCCC3.
What is the InChIKey of 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The InChIKey is UIILCOZYEVPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-3-5-15-9-6-2-1-4-14-8(6)16-17(7)9/h7,15H,1-5H2,(H,14,16).
What are the key properties of 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene has a molecular weight of 246.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is sourced from PubChem (CID 136841554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).