1,1,2,4,5,6,7-heptafluoroindene

C9HF7 — CID 23234372

IUPAC1,1,2,4,5,6,7-heptafluoroindene
SMILESFC1=Cc2c(F)c(F)c(F)c(F)c2C1(F)F
InChIInChI=1S/C9HF7/c10-3-1-2-4(9(3,15)16)6(12)8(14)7(13)5(2)11/h1H
InChIKeyPSARHBCDFOQZAF-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.66
Rot. Bonds

About 1,1,2,4,5,6,7-heptafluoroindene

1,1,2,4,5,6,7-heptafluoroindene (PubChem CID 23234372) has the molecular formula C9HF7 and a molecular weight of 242.09 g/mol. Its IUPAC name is 1,1,2,4,5,6,7-heptafluoroindene.

Molecular Properties

Compound Name1,1,2,4,5,6,7-heptafluoroindene
PubChem CID23234372
Molecular FormulaC9HF7
Molecular Weight242.09 g/mol
Exact Mass242.00
IUPAC Name1,1,2,4,5,6,7-heptafluoroindene
SMILESFC1=Cc2c(F)c(F)c(F)c(F)c2C1(F)F
InChIInChI=1S/C9HF7/c10-3-1-2-4(9(3,15)16)6(12)8(14)7(13)5(2)11/h1H
InChIKeyPSARHBCDFOQZAF-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.66
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 1,1,2,4,5,6,7-heptafluoroindene?
The IUPAC name of 1,1,2,4,5,6,7-heptafluoroindene (CID 23234372) is 1,1,2,4,5,6,7-heptafluoroindene.
What is the SMILES notation for 1,1,2,4,5,6,7-heptafluoroindene?
The canonical SMILES for 1,1,2,4,5,6,7-heptafluoroindene is FC1=Cc2c(F)c(F)c(F)c(F)c2C1(F)F.
What is the InChIKey of 1,1,2,4,5,6,7-heptafluoroindene?
The InChIKey is PSARHBCDFOQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF7/c10-3-1-2-4(9(3,15)16)6(12)8(14)7(13)5(2)11/h1H.
What are the key properties of 1,1,2,4,5,6,7-heptafluoroindene?
1,1,2,4,5,6,7-heptafluoroindene has a molecular weight of 242.09 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,5,6,7-heptafluoroindene is sourced from PubChem (CID 23234372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).