1,1,2,3,4,5,6,7-octafluoroindene

C9F8 — CID 617884

IUPAC1,1,2,3,4,5,6,7-octafluoroindene
SMILESFC1=C(F)C(F)(F)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C9F8/c10-3-1-2(5(12)7(14)6(3)13)9(16,17)8(15)4(1)11
InChIKeyRCYYJAWAODHLBB-UHFFFAOYSA-N
MW260.08 g/mol
LogP3.96
Rot. Bonds

About 1,1,2,3,4,5,6,7-octafluoroindene

1,1,2,3,4,5,6,7-octafluoroindene (PubChem CID 617884) has the molecular formula C9F8 and a molecular weight of 260.08 g/mol. Its IUPAC name is 1,1,2,3,4,5,6,7-octafluoroindene.

Molecular Properties

Compound Name1,1,2,3,4,5,6,7-octafluoroindene
PubChem CID617884
Molecular FormulaC9F8
Molecular Weight260.08 g/mol
Exact Mass259.99
IUPAC Name1,1,2,3,4,5,6,7-octafluoroindene
SMILESFC1=C(F)C(F)(F)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C9F8/c10-3-1-2(5(12)7(14)6(3)13)9(16,17)8(15)4(1)11
InChIKeyRCYYJAWAODHLBB-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,6,7-octafluoroindene?
The IUPAC name of 1,1,2,3,4,5,6,7-octafluoroindene (CID 617884) is 1,1,2,3,4,5,6,7-octafluoroindene.
What is the SMILES notation for 1,1,2,3,4,5,6,7-octafluoroindene?
The canonical SMILES for 1,1,2,3,4,5,6,7-octafluoroindene is FC1=C(F)C(F)(F)c2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 1,1,2,3,4,5,6,7-octafluoroindene?
The InChIKey is RCYYJAWAODHLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F8/c10-3-1-2(5(12)7(14)6(3)13)9(16,17)8(15)4(1)11.
What are the key properties of 1,1,2,3,4,5,6,7-octafluoroindene?
1,1,2,3,4,5,6,7-octafluoroindene has a molecular weight of 260.08 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,6,7-octafluoroindene is sourced from PubChem (CID 617884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).