9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene

C15H10BrF — CID 132504685

IUPAC9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
SMILESFC1=C(Br)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C15H10BrF/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15(14)17/h1-8H,9H2
InChIKeyPMEANASCXCQQHM-UHFFFAOYSA-N
MW289.15 g/mol
LogP4.94
Rot. Bonds

About 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene

9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene (PubChem CID 132504685) has the molecular formula C15H10BrF and a molecular weight of 289.15 g/mol. Its IUPAC name is 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene.

Molecular Properties

Compound Name9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
PubChem CID132504685
Molecular FormulaC15H10BrF
Molecular Weight289.15 g/mol
Exact Mass287.99
IUPAC Name9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
SMILESFC1=C(Br)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C15H10BrF/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15(14)17/h1-8H,9H2
InChIKeyPMEANASCXCQQHM-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene with MolForge

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Related Compounds

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CID 22003430

Frequently Asked Questions

What is the IUPAC name of 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
The IUPAC name of 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene (CID 132504685) is 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene.
What is the SMILES notation for 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
The canonical SMILES for 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene is FC1=C(Br)Cc2ccccc2-c2ccccc21.
What is the InChIKey of 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
The InChIKey is PMEANASCXCQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15(14)17/h1-8H,9H2.
What are the key properties of 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene?
9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene has a molecular weight of 289.15 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene is sourced from PubChem (CID 132504685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).