10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene

C17H11F3N4 — CID 21494759

IUPAC10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene
SMILESFc1ccc2c(c1)/C(c1c(F)cccc1F)=N\CCc1nncn1-2
InChIInChI=1S/C17H11F3N4/c18-10-4-5-14-11(8-10)17(16-12(19)2-1-3-13(16)20)21-7-6-15-23-22-9-24(14)15/h1-5,8-9H,6-7H2/b21-17+
InChIKeyLTXYXARMBXAINO-HEHNFIMWSA-N
MW328.30 g/mol
LogP3.08
Rot. Bonds1

About 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene

10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene (PubChem CID 21494759) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene.

Molecular Properties

Compound Name10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene
PubChem CID21494759
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene
SMILESFc1ccc2c(c1)/C(c1c(F)cccc1F)=N\CCc1nncn1-2
InChIInChI=1S/C17H11F3N4/c18-10-4-5-14-11(8-10)17(16-12(19)2-1-3-13(16)20)21-7-6-15-23-22-9-24(14)15/h1-5,8-9H,6-7H2/b21-17+
InChIKeyLTXYXARMBXAINO-HEHNFIMWSA-N
XLogP3.08
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene with MolForge

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Related Compounds

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13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
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Frequently Asked Questions

What is the IUPAC name of 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene?
The IUPAC name of 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene (CID 21494759) is 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene.
What is the SMILES notation for 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene?
The canonical SMILES for 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene is Fc1ccc2c(c1)/C(c1c(F)cccc1F)=N\CCc1nncn1-2.
What is the InChIKey of 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene?
The InChIKey is LTXYXARMBXAINO-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-10-4-5-14-11(8-10)17(16-12(19)2-1-3-13(16)20)21-7-6-15-23-22-9-24(14)15/h1-5,8-9H,6-7H2/b21-17+.
What are the key properties of 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene?
10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene has a molecular weight of 328.30 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene is sourced from PubChem (CID 21494759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).