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

C10Cl2F8 — CID 12696019

IUPAC3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(=C(Cl)Cl)C(F)(F)C2(F)F
InChIInChI=1S/C10Cl2F8/c11-8(12)3-1-2(9(17,18)10(3,19)20)5(14)7(16)6(15)4(1)13
InChIKeyQDNZFJJAXHTARC-UHFFFAOYSA-N
MW343.00 g/mol
LogP5.13
Rot. Bonds

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

3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene (PubChem CID 12696019) has the molecular formula C10Cl2F8 and a molecular weight of 343.00 g/mol. Its IUPAC name is 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene.

Molecular Properties

Compound Name3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene
PubChem CID12696019
Molecular FormulaC10Cl2F8
Molecular Weight343.00 g/mol
Exact Mass341.92
IUPAC Name3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(=C(Cl)Cl)C(F)(F)C2(F)F
InChIInChI=1S/C10Cl2F8/c11-8(12)3-1-2(9(17,18)10(3,19)20)5(14)7(16)6(15)4(1)13
InChIKeyQDNZFJJAXHTARC-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.00
LogP ≤ 55.13
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1H-Indene, 1,1,2,3,4,5,6,7-octafluoro-
CID 617884
1,1,2,2,3,3,4,5,6,7-Decafluoro-2,3-dihydro-1H-indene
CID 9796264
1,1,2,2,3,4,5,6,7-Nonafluoro-3-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 12521072
1,2,3,4,5,6,7,8,9,9-Decafluorofluorene
CID 21731377
1,2-Bis(trifluoromethyl)perfluoroindane
CID 630113
Perfluoro-1,1-diethylindan
CID 4263774
1,1,3,4,5,6,7-Heptafluoro-2-(trifluoromethyl)-1H-indene
CID 12516162
1,1,3-Trichloroperfluoro-2-methylindene
CID 12516163
3-Chloroperfluoro-2-methylindene
CID 12516164
1,1,2-Trichloroperfluoro-2-methylindan
CID 12516166
2-Dichloromethyleneoctafluoroindan
CID 12696020
1,1-Dichloro-octafluoroindane
CID 13082394

Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
The IUPAC name of 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene (CID 12696019) is 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene.
What is the SMILES notation for 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
The canonical SMILES for 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene is Fc1c(F)c(F)c2c(c1F)C(=C(Cl)Cl)C(F)(F)C2(F)F.
What is the InChIKey of 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
The InChIKey is QDNZFJJAXHTARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F8/c11-8(12)3-1-2(9(17,18)10(3,19)20)5(14)7(16)6(15)4(1)13.
What are the key properties of 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene has a molecular weight of 343.00 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 3-(dichloromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene is sourced from PubChem (CID 12696019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).