11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

C14H10F3N3O — CID 2823366

IUPAC11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESFC(F)(F)c1c2c(nc3cc(-c4ccco4)nn13)CCC2
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)13-8-3-1-4-9(8)18-12-7-10(19-20(12)13)11-5-2-6-21-11/h2,5-7H,1,3-4H2
InChIKeyNUSOZYWLELABQO-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.50
Rot. Bonds1

About 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 2823366) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID2823366
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESFC(F)(F)c1c2c(nc3cc(-c4ccco4)nn13)CCC2
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)13-8-3-1-4-9(8)18-12-7-10(19-20(12)13)11-5-2-6-21-11/h2,5-7H,1,3-4H2
InChIKeyNUSOZYWLELABQO-UHFFFAOYSA-N
XLogP3.50
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 2823366) is 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is FC(F)(F)c1c2c(nc3cc(-c4ccco4)nn13)CCC2.
What is the InChIKey of 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is NUSOZYWLELABQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)13-8-3-1-4-9(8)18-12-7-10(19-20(12)13)11-5-2-6-21-11/h2,5-7H,1,3-4H2.
What are the key properties of 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 293.25 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(furan-2-yl)-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 2823366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).