1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene

C9Cl4F6 — CID 12657440

IUPAC1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(F)(F)C2(Cl)Cl
InChIInChI=1S/C9Cl4F6/c10-7(11)1-2(8(12,13)9(7,18)19)4(15)6(17)5(16)3(1)14
InChIKeyZZMFXEFDIGUXJD-UHFFFAOYSA-N
MW363.90 g/mol
LogP5.15
Rot. Bonds

About 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene

1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene (PubChem CID 12657440) has the molecular formula C9Cl4F6 and a molecular weight of 363.90 g/mol. Its IUPAC name is 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene.

Molecular Properties

Compound Name1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene
PubChem CID12657440
Molecular FormulaC9Cl4F6
Molecular Weight363.90 g/mol
Exact Mass361.87
IUPAC Name1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(F)(F)C2(Cl)Cl
InChIInChI=1S/C9Cl4F6/c10-7(11)1-2(8(12,13)9(7,18)19)4(15)6(17)5(16)3(1)14
InChIKeyZZMFXEFDIGUXJD-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.90
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene?
The IUPAC name of 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene (CID 12657440) is 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene.
What is the SMILES notation for 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene?
The canonical SMILES for 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene is Fc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(F)(F)C2(Cl)Cl.
What is the InChIKey of 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene?
The InChIKey is ZZMFXEFDIGUXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9Cl4F6/c10-7(11)1-2(8(12,13)9(7,18)19)4(15)6(17)5(16)3(1)14.
What are the key properties of 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene?
1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene has a molecular weight of 363.90 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrachloro-2,2,4,5,6,7-hexafluoroindene is sourced from PubChem (CID 12657440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).