2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C15H11BrFN — CID 68887450

IUPAC2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESFc1ccc2c(c1)CCc1ncccc1C2=CBr
InChIInChI=1S/C15H11BrFN/c16-9-14-12-5-4-11(17)8-10(12)3-6-15-13(14)2-1-7-18-15/h1-2,4-5,7-9H,3,6H2
InChIKeyCSQIDPWNJSSROZ-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.10
Rot. Bonds

About 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 68887450) has the molecular formula C15H11BrFN and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID68887450
Molecular FormulaC15H11BrFN
Molecular Weight304.16 g/mol
Exact Mass303.01
IUPAC Name2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESFc1ccc2c(c1)CCc1ncccc1C2=CBr
InChIInChI=1S/C15H11BrFN/c16-9-14-12-5-4-11(17)8-10(12)3-6-15-13(14)2-1-7-18-15/h1-2,4-5,7-9H,3,6H2
InChIKeyCSQIDPWNJSSROZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 68887450) is 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is Fc1ccc2c(c1)CCc1ncccc1C2=CBr.
What is the InChIKey of 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is CSQIDPWNJSSROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN/c16-9-14-12-5-4-11(17)8-10(12)3-6-15-13(14)2-1-7-18-15/h1-2,4-5,7-9H,3,6H2.
What are the key properties of 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 304.16 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 68887450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).