1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene

C9Cl3F7 — CID 13179243

IUPAC1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene
SMILESFc1c(F)c2c(c(F)c1Cl)C(F)(F)C(F)(F)C2(Cl)Cl
InChIInChI=1S/C9Cl3F7/c10-3-4(13)2-1(5(14)6(3)15)7(11,12)9(18,19)8(2,16)17
InChIKeyCCFVYNNNNDMIKG-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.13
Rot. Bonds

About 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene

1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene (PubChem CID 13179243) has the molecular formula C9Cl3F7 and a molecular weight of 347.44 g/mol. Its IUPAC name is 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene.

Molecular Properties

Compound Name1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene
PubChem CID13179243
Molecular FormulaC9Cl3F7
Molecular Weight347.44 g/mol
Exact Mass345.90
IUPAC Name1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene
SMILESFc1c(F)c2c(c(F)c1Cl)C(F)(F)C(F)(F)C2(Cl)Cl
InChIInChI=1S/C9Cl3F7/c10-3-4(13)2-1(5(14)6(3)15)7(11,12)9(18,19)8(2,16)17
InChIKeyCCFVYNNNNDMIKG-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.13
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene?
The IUPAC name of 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene (CID 13179243) is 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene.
What is the SMILES notation for 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene?
The canonical SMILES for 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene is Fc1c(F)c2c(c(F)c1Cl)C(F)(F)C(F)(F)C2(Cl)Cl.
What is the InChIKey of 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene?
The InChIKey is CCFVYNNNNDMIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9Cl3F7/c10-3-4(13)2-1(5(14)6(3)15)7(11,12)9(18,19)8(2,16)17.
What are the key properties of 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene?
1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene has a molecular weight of 347.44 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trichloro-2,2,3,3,4,6,7-heptafluoroindene is sourced from PubChem (CID 13179243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).