13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene

C15H17FN2 — CID 143141754

IUPAC13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene
SMILESCN1C=CN2c3ccc(F)cc3C3(C)CC3(C)C12
InChIInChI=1S/C15H17FN2/c1-14-9-15(14,2)13-17(3)6-7-18(13)12-5-4-10(16)8-11(12)14/h4-8,13H,9H2,1-3H3
InChIKeyZZHHDMNPXVFTAU-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.06
Rot. Bonds

About 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene

13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene (PubChem CID 143141754) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene.

Molecular Properties

Compound Name13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene
PubChem CID143141754
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene
SMILESCN1C=CN2c3ccc(F)cc3C3(C)CC3(C)C12
InChIInChI=1S/C15H17FN2/c1-14-9-15(14,2)13-17(3)6-7-18(13)12-5-4-10(16)8-11(12)14/h4-8,13H,9H2,1-3H3
InChIKeyZZHHDMNPXVFTAU-UHFFFAOYSA-N
XLogP3.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
The IUPAC name of 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene (CID 143141754) is 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene.
What is the SMILES notation for 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
The canonical SMILES for 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene is CN1C=CN2c3ccc(F)cc3C3(C)CC3(C)C12.
What is the InChIKey of 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
The InChIKey is ZZHHDMNPXVFTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-14-9-15(14,2)13-17(3)6-7-18(13)12-5-4-10(16)8-11(12)14/h4-8,13H,9H2,1-3H3.
What are the key properties of 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene has a molecular weight of 244.31 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene is sourced from PubChem (CID 143141754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).