5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C18H18F8 — CID 121476184

IUPAC5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C18H18F8/c1-3-5-11-7-9-13(17(23,24)15(11,19)20)14-10-8-12(6-4-2)16(21,22)18(14,25)26/h7-10H,3-6H2,1-2H3
InChIKeyFNRYBYAWDFKBNT-UHFFFAOYSA-N
MW386.33 g/mol
LogP6.86
Rot. Bonds5

About 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 121476184) has the molecular formula C18H18F8 and a molecular weight of 386.33 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID121476184
Molecular FormulaC18H18F8
Molecular Weight386.33 g/mol
Exact Mass386.13
IUPAC Name5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C18H18F8/c1-3-5-11-7-9-13(17(23,24)15(11,19)20)14-10-8-12(6-4-2)16(21,22)18(14,25)26/h7-10H,3-6H2,1-2H3
InChIKeyFNRYBYAWDFKBNT-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene with MolForge

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Related Compounds

1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
3,3,4,4-Tetrafluoro-2,5-di(nonyl)bicyclo[4.2.0]octa-1,5,7-triene
CID 15522023
1-Methyl-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 19892255
1,2,3,5,6-Pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 22005445
1-Hexyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177658
2-Fluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 68384742
1-Butyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 71159948
Lithium 1,3-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)benzene-5-ide
CID 87784739
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 87921363
1-Fluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 87921379
1-Ethenyl-2-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-3-en-4-yl)cyclohexene
CID 88171086
1,7-Dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene
CID 88557727

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 121476184) is 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is CCCC1=CC=C(C2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is FNRYBYAWDFKBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F8/c1-3-5-11-7-9-13(17(23,24)15(11,19)20)14-10-8-12(6-4-2)16(21,22)18(14,25)26/h7-10H,3-6H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 386.33 g/mol, XLogP of 6.86, 5 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-propyl-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 121476184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).