12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

C10H5F3N4 — CID 163237446

IUPAC12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESFC(F)(F)C1=CC=C2C=CN=C3N=CN=C1N23
InChIInChI=1S/C10H5F3N4/c11-10(12,13)7-2-1-6-3-4-14-9-16-5-15-8(7)17(6)9/h1-5H
InChIKeyUHUXSSRSVYABSX-UHFFFAOYSA-N
MW238.17 g/mol
LogP2.00
Rot. Bonds

About 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (PubChem CID 163237446) has the molecular formula C10H5F3N4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
PubChem CID163237446
Molecular FormulaC10H5F3N4
Molecular Weight238.17 g/mol
Exact Mass238.05
IUPAC Name12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESFC(F)(F)C1=CC=C2C=CN=C3N=CN=C1N23
InChIInChI=1S/C10H5F3N4/c11-10(12,13)7-2-1-6-3-4-14-9-16-5-15-8(7)17(6)9/h1-5H
InChIKeyUHUXSSRSVYABSX-UHFFFAOYSA-N
XLogP2.00
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The IUPAC name of 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (CID 163237446) is 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is FC(F)(F)C1=CC=C2C=CN=C3N=CN=C1N23.
What is the InChIKey of 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The InChIKey is UHUXSSRSVYABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4/c11-10(12,13)7-2-1-6-3-4-14-9-16-5-15-8(7)17(6)9/h1-5H.
What are the key properties of 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene has a molecular weight of 238.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(trifluoromethyl)-2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 163237446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).