5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

C12H11FN2 — CID 115404544

IUPAC5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESFc1ccc2nc3c(n2c1)C1CCC3C1
InChIInChI=1S/C12H11FN2/c13-9-3-4-10-14-11-7-1-2-8(5-7)12(11)15(10)6-9/h3-4,6-8H,1-2,5H2
InChIKeyVILBOLQFJJHRKT-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.84
Rot. Bonds

About 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (PubChem CID 115404544) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
PubChem CID115404544
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESFc1ccc2nc3c(n2c1)C1CCC3C1
InChIInChI=1S/C12H11FN2/c13-9-3-4-10-14-11-7-1-2-8(5-7)12(11)15(10)6-9/h3-4,6-8H,1-2,5H2
InChIKeyVILBOLQFJJHRKT-UHFFFAOYSA-N
XLogP2.84
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The IUPAC name of 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (CID 115404544) is 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.
What is the SMILES notation for 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The canonical SMILES for 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is Fc1ccc2nc3c(n2c1)C1CCC3C1.
What is the InChIKey of 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The InChIKey is VILBOLQFJJHRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-9-3-4-10-14-11-7-1-2-8(5-7)12(11)15(10)6-9/h3-4,6-8H,1-2,5H2.
What are the key properties of 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene has a molecular weight of 202.23 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 115404544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).