1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene

C11F12 — CID 625992

IUPAC1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
SMILESFC(=C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11F12/c12-4-1-2(5(13)7(15)6(4)14)9(17,18)10(19,20)3(1)8(16)11(21,22)23
InChIKeyYWKKQILMYVHRJG-UHFFFAOYSA-N
MW360.10 g/mol
LogP5.23
Rot. Bonds

About 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene

1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene (PubChem CID 625992) has the molecular formula C11F12 and a molecular weight of 360.10 g/mol. Its IUPAC name is 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene.

Molecular Properties

Compound Name1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
PubChem CID625992
Molecular FormulaC11F12
Molecular Weight360.10 g/mol
Exact Mass359.98
IUPAC Name1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
SMILESFC(=C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11F12/c12-4-1-2(5(13)7(15)6(4)14)9(17,18)10(19,20)3(1)8(16)11(21,22)23
InChIKeyYWKKQILMYVHRJG-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.10
LogP ≤ 55.23
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
The IUPAC name of 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene (CID 625992) is 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene.
What is the SMILES notation for 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
The canonical SMILES for 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene is FC(=C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
The InChIKey is YWKKQILMYVHRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F12/c12-4-1-2(5(13)7(15)6(4)14)9(17,18)10(19,20)3(1)8(16)11(21,22)23.
What are the key properties of 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene has a molecular weight of 360.10 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene is sourced from PubChem (CID 625992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).