5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C12H6F8 — CID 121476187

IUPAC5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESFC1(F)C=CC=C(C2=CC=CC(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C12H6F8/c13-9(14)5-1-3-7(11(9,17)18)8-4-2-6-10(15,16)12(8,19)20/h1-6H
InChIKeyAWLJSTISWNVWKA-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.52
Rot. Bonds1

About 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 121476187) has the molecular formula C12H6F8 and a molecular weight of 302.16 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID121476187
Molecular FormulaC12H6F8
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESFC1(F)C=CC=C(C2=CC=CC(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C12H6F8/c13-9(14)5-1-3-7(11(9,17)18)8-4-2-6-10(15,16)12(8,19)20/h1-6H
InChIKeyAWLJSTISWNVWKA-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(3E)-5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluorodeca-1,3-diene
CID 5708682
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluorodeca-1,3-diene
CID 2776051
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene
CID 129690487
1,4-Bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 134898001
2,3-Bis(3,3,3-trifluoropropyl)cyclopentadiene
CID 139104303
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexene
CID 10847151
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 15769647
2-Fluoro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 17821325
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 17936271
2-(2-Cyclohexa-1,5-dien-1-yl-1,1,2,2-tetrafluoroethyl)cyclohexa-1,3-diene
CID 17938008

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 121476187) is 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is FC1(F)C=CC=C(C2=CC=CC(F)(F)C2(F)F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is AWLJSTISWNVWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F8/c13-9(14)5-1-3-7(11(9,17)18)8-4-2-6-10(15,16)12(8,19)20/h1-6H.
What are the key properties of 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 302.16 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 121476187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).