1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene

C10Cl6F4 — CID 12516165

IUPAC1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(=C(Cl)Cl)C2(Cl)Cl
InChIInChI=1S/C10Cl6F4/c11-8(12)7-9(13,14)1-2(10(7,15)16)4(18)6(20)5(19)3(1)17
InChIKeyPCYMUPAQUPQRBJ-UHFFFAOYSA-N
MW408.82 g/mol
LogP6.21
Rot. Bonds

About 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene

1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene (PubChem CID 12516165) has the molecular formula C10Cl6F4 and a molecular weight of 408.82 g/mol. Its IUPAC name is 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene.

Molecular Properties

Compound Name1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene
PubChem CID12516165
Molecular FormulaC10Cl6F4
Molecular Weight408.82 g/mol
Exact Mass405.81
IUPAC Name1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(=C(Cl)Cl)C2(Cl)Cl
InChIInChI=1S/C10Cl6F4/c11-8(12)7-9(13,14)1-2(10(7,15)16)4(18)6(20)5(19)3(1)17
InChIKeyPCYMUPAQUPQRBJ-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 56.21
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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Related Compounds

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-Dichloro-octafluoroindane
CID 13082394
1,1,3-Trichloropentafluoroindene
CID 85851665
1-Chloro-1,2,2,3,3,4,5,6,7-nonafluoro-2,3-dihydro-1H-indene
CID 12701531
1,3-Dichloro-1,2,2,3,4,5,6,7-octafluoro-2,3-dihydro-1H-indene
CID 13179245
1,6-Dichlorooctafluoroindan
CID 13572689
1,1-Dichloroperfluoro-2-methylindene
CID 129808488
1,3-Dichloro-1-trifluoromethylheptafluoroindane
CID 631358

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene?
The IUPAC name of 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene (CID 12516165) is 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene.
What is the SMILES notation for 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene?
The canonical SMILES for 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene is Fc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(=C(Cl)Cl)C2(Cl)Cl.
What is the InChIKey of 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene?
The InChIKey is PCYMUPAQUPQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl6F4/c11-8(12)7-9(13,14)1-2(10(7,15)16)4(18)6(20)5(19)3(1)17.
What are the key properties of 1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene?
1,1,3,3-tetrachloro-2-(dichloromethylidene)-4,5,6,7-tetrafluoroindene has a molecular weight of 408.82 g/mol, XLogP of 6.21, 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-(dichloromethylidene)-4,5,6,7-tetrafluoroindene is sourced from PubChem (CID 12516165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).