5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene

C9BrF9 — CID 57364089

IUPAC5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene
SMILESFc1c(F)c2c(c(F)c1Br)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9BrF9/c10-3-4(11)1-2(5(12)6(3)13)8(16,17)9(18,19)7(1,14)15
InChIKeyFLYYYIJAQOBSFI-UHFFFAOYSA-N
MW358.99 g/mol
LogP4.70
Rot. Bonds

About 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene

5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene (PubChem CID 57364089) has the molecular formula C9BrF9 and a molecular weight of 358.99 g/mol. Its IUPAC name is 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene.

Molecular Properties

Compound Name5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene
PubChem CID57364089
Molecular FormulaC9BrF9
Molecular Weight358.99 g/mol
Exact Mass357.90
IUPAC Name5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene
SMILESFc1c(F)c2c(c(F)c1Br)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9BrF9/c10-3-4(11)1-2(5(12)6(3)13)8(16,17)9(18,19)7(1,14)15
InChIKeyFLYYYIJAQOBSFI-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.99
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene?
The IUPAC name of 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene (CID 57364089) is 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene.
What is the SMILES notation for 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene?
The canonical SMILES for 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene is Fc1c(F)c2c(c(F)c1Br)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene?
The InChIKey is FLYYYIJAQOBSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9BrF9/c10-3-4(11)1-2(5(12)6(3)13)8(16,17)9(18,19)7(1,14)15.
What are the key properties of 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene?
5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene has a molecular weight of 358.99 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,1,2,2,3,3,4,6,7-nonafluoroindene is sourced from PubChem (CID 57364089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).