8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene

C11H11F3N4 — CID 654120

IUPAC8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene
SMILESFC(F)(F)c1nc2nncn2c2c1CCCCC2
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-7-4-2-1-3-5-8(7)18-6-15-17-10(18)16-9/h6H,1-5H2
InChIKeyOTWIAUOQQSJHMF-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.41
Rot. Bonds

About 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene

8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene (PubChem CID 654120) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene
PubChem CID654120
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene
SMILESFC(F)(F)c1nc2nncn2c2c1CCCCC2
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-7-4-2-1-3-5-8(7)18-6-15-17-10(18)16-9/h6H,1-5H2
InChIKeyOTWIAUOQQSJHMF-UHFFFAOYSA-N
XLogP2.41
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?
The IUPAC name of 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene (CID 654120) is 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?
The canonical SMILES for 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene is FC(F)(F)c1nc2nncn2c2c1CCCCC2.
What is the InChIKey of 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?
The InChIKey is OTWIAUOQQSJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)9-7-4-2-1-3-5-8(7)18-6-15-17-10(18)16-9/h6H,1-5H2.
What are the key properties of 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?
8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene has a molecular weight of 256.23 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-2,4,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 654120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).