5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

C10H12FN3O — CID 167242876

IUPAC5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESFc1cnc2c(c1)OCC1CNCCN21
InChIInChI=1S/C10H12FN3O/c11-7-3-9-10(13-4-7)14-2-1-12-5-8(14)6-15-9/h3-4,8,12H,1-2,5-6H2
InChIKeyICDONJGFIKENEJ-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.39
Rot. Bonds

About 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (PubChem CID 167242876) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
PubChem CID167242876
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESFc1cnc2c(c1)OCC1CNCCN21
InChIInChI=1S/C10H12FN3O/c11-7-3-9-10(13-4-7)14-2-1-12-5-8(14)6-15-9/h3-4,8,12H,1-2,5-6H2
InChIKeyICDONJGFIKENEJ-UHFFFAOYSA-N
XLogP0.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (CID 167242876) is 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is Fc1cnc2c(c1)OCC1CNCCN21.
What is the InChIKey of 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is ICDONJGFIKENEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-7-3-9-10(13-4-7)14-2-1-12-5-8(14)6-15-9/h3-4,8,12H,1-2,5-6H2.
What are the key properties of 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 209.22 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 167242876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).