11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

C13H15FN2 — CID 106664570

IUPAC11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC1CC(C)(C)c2c1nc1ccc(F)cn21
InChIInChI=1S/C13H15FN2/c1-8-6-13(2,3)12-11(8)15-10-5-4-9(14)7-16(10)12/h4-5,7-8H,6H2,1-3H3
InChIKeyOLQPCDZPQHOFSH-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.26
Rot. Bonds

About 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 106664570) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID106664570
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC Name11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC1CC(C)(C)c2c1nc1ccc(F)cn21
InChIInChI=1S/C13H15FN2/c1-8-6-13(2,3)12-11(8)15-10-5-4-9(14)7-16(10)12/h4-5,7-8H,6H2,1-3H3
InChIKeyOLQPCDZPQHOFSH-UHFFFAOYSA-N
XLogP3.26
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 106664570) is 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is CC1CC(C)(C)c2c1nc1ccc(F)cn21.
What is the InChIKey of 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is OLQPCDZPQHOFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-8-6-13(2,3)12-11(8)15-10-5-4-9(14)7-16(10)12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 218.27 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-3,3,5-trimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 106664570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).