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

C9Cl2F8 — CID 13082394

IUPAC1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(Cl)Cl
InChIInChI=1S/C9Cl2F8/c10-7(11)1-2(8(16,17)9(7,18)19)4(13)6(15)5(14)3(1)12
InChIKeyVUCMZLSDPCFJIL-UHFFFAOYSA-N
MW330.99 g/mol
LogP4.61
Rot. Bonds

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

1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene (PubChem CID 13082394) has the molecular formula C9Cl2F8 and a molecular weight of 330.99 g/mol. Its IUPAC name is 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene.

Molecular Properties

Compound Name1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene
PubChem CID13082394
Molecular FormulaC9Cl2F8
Molecular Weight330.99 g/mol
Exact Mass329.92
IUPAC Name1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(Cl)Cl
InChIInChI=1S/C9Cl2F8/c10-7(11)1-2(8(16,17)9(7,18)19)4(13)6(15)5(14)3(1)12
InChIKeyVUCMZLSDPCFJIL-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.99
LogP ≤ 54.61
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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Related Compounds

1,1,2,2,3,3,4,5,6,7-Decafluoro-2,3-dihydro-1H-indene
CID 9796264
1,1,3-Trichloroperfluoro-2-methylindene
CID 12516163
3-Chloroperfluoro-2-methylindene
CID 12516164
1,1,2-Trichloroperfluoro-2-methylindan
CID 12516166
1-(Dichloromethylene)octa-fluoroindane
CID 12696019
2-Dichloromethyleneoctafluoroindan
CID 12696020
1,1,3-Trichloropentafluoroindene
CID 85851665
Perfluoro(1-ethylideneindane)
CID 625992
2-Dichloromethylene-1,1,3,3-tetrachlorotetrafluoroindan
CID 12516165
1-Chloro-1,2,2,3,3,4,5,6,7-nonafluoro-2,3-dihydro-1H-indene
CID 12701531
Perfluoro-1-methyleneindane
CID 13082395
1,3-Dichloro-1,2,2,3,4,5,6,7-octafluoro-2,3-dihydro-1H-indene
CID 13179245

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene?
The IUPAC name of 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene (CID 13082394) is 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene.
What is the SMILES notation for 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene?
The canonical SMILES for 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene?
The InChIKey is VUCMZLSDPCFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9Cl2F8/c10-7(11)1-2(8(16,17)9(7,18)19)4(13)6(15)5(14)3(1)12.
What are the key properties of 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene?
1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene has a molecular weight of 330.99 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,3,3,4,5,6,7-octafluoroindene is sourced from PubChem (CID 13082394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).