6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene

C11H11FN2 — CID 175704272

IUPAC6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene
SMILESFc1cc2c3c(c1)=CNCCC=3CN2
InChIInChI=1S/C11H11FN2/c12-9-3-8-5-13-2-1-7-6-14-10(4-9)11(7)8/h3-5,13-14H,1-2,6H2
InChIKeyPPNWDKOZAIEXSE-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.13
Rot. Bonds

About 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene

6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene (PubChem CID 175704272) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene.

Molecular Properties

Compound Name6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene
PubChem CID175704272
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene
SMILESFc1cc2c3c(c1)=CNCCC=3CN2
InChIInChI=1S/C11H11FN2/c12-9-3-8-5-13-2-1-7-6-14-10(4-9)11(7)8/h3-5,13-14H,1-2,6H2
InChIKeyPPNWDKOZAIEXSE-UHFFFAOYSA-N
XLogP0.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene?
The IUPAC name of 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene (CID 175704272) is 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene.
What is the SMILES notation for 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene?
The canonical SMILES for 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene is Fc1cc2c3c(c1)=CNCCC=3CN2.
What is the InChIKey of 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene?
The InChIKey is PPNWDKOZAIEXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-9-3-8-5-13-2-1-7-6-14-10(4-9)11(7)8/h3-5,13-14H,1-2,6H2.
What are the key properties of 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene?
6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene has a molecular weight of 190.22 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8-tetraene is sourced from PubChem (CID 175704272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).