14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

C11H14FN3 — CID 155352887

IUPAC14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESFC1=CCCCn2nc3c(c21)CNCC3
InChIInChI=1S/C11H14FN3/c12-9-3-1-2-6-15-11(9)8-7-13-5-4-10(8)14-15/h3,13H,1-2,4-7H2
InChIKeyXFDLBPUBVJOKMW-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.63
Rot. Bonds

About 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (PubChem CID 155352887) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.

Molecular Properties

Compound Name14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
PubChem CID155352887
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESFC1=CCCCn2nc3c(c21)CNCC3
InChIInChI=1S/C11H14FN3/c12-9-3-1-2-6-15-11(9)8-7-13-5-4-10(8)14-15/h3,13H,1-2,4-7H2
InChIKeyXFDLBPUBVJOKMW-UHFFFAOYSA-N
XLogP1.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 175767396
5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene
CID 155350244
13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium
CID 167683847
13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155366696
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82289154
14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155352784
(5R,12R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-12-ol
CID 155352762
(5R,12S)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-12-ol
CID 155352886
13-methyl-11-methylidene-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 146625494
14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
CID 175201591
4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
CID 55264669
1,1-difluoro-2-methoxyethane;14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155727961

Frequently Asked Questions

What is the IUPAC name of 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The IUPAC name of 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (CID 155352887) is 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.
What is the SMILES notation for 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The canonical SMILES for 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is FC1=CCCCn2nc3c(c21)CNCC3.
What is the InChIKey of 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The InChIKey is XFDLBPUBVJOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-9-3-1-2-6-15-11(9)8-7-13-5-4-10(8)14-15/h3,13H,1-2,4-7H2.
What are the key properties of 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene has a molecular weight of 207.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is sourced from PubChem (CID 155352887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).