(3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene

C12H4F18 — CID 139262991

IUPAC(3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene
SMILESFC(F)(F)C/C(=C(C(=C(/CC(F)(F)F)C(F)(F)F)\C(F)(F)F)/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4F18/c13-7(14,15)1-3(9(19,20)21)5(11(25,26)27)6(12(28,29)30)4(10(22,23)24)2-8(16,17)18/h1-2H2/b5-3-,6-4-
InChIKeyLFFGSJJYJZAXCD-GLIMQPGKSA-N
MW490.13 g/mol
LogP7.73
Rot. Bonds3

About (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene

(3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene (PubChem CID 139262991) has the molecular formula C12H4F18 and a molecular weight of 490.13 g/mol. Its IUPAC name is (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene
PubChem CID139262991
Molecular FormulaC12H4F18
Molecular Weight490.13 g/mol
Exact Mass490.00
IUPAC Name(3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene
SMILESFC(F)(F)C/C(=C(C(=C(/CC(F)(F)F)C(F)(F)F)\C(F)(F)F)/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4F18/c13-7(14,15)1-3(9(19,20)21)5(11(25,26)27)6(12(28,29)30)4(10(22,23)24)2-8(16,17)18/h1-2H2/b5-3-,6-4-
InChIKeyLFFGSJJYJZAXCD-GLIMQPGKSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.13
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 10861355
Perfluoro-(2-isobutenyl-1,1,4,4-tetramethyl-1,3-butadiene)
CID 12571878
Perfluoro-3,4-dimethylhexa-2,4-diene
CID 53636963
1,4-Bismethylene-2,3,5,6-tetrafluorobenzene
CID 67261759
1,1,1,6,6,6-Hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene
CID 14508573
1,2,3,4-Tetrakis(trifluoromethyl)buta-1,3-diene
CID 129862358
(2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 135049717
1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene
CID 612205
(2Z,4E)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 12708026
1,1,3-Trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene
CID 71389795
1,2,3,4-Tetrakis(trifluoromethyl)cyclopenta-1,3-diene
CID 19796817
2,3-Bis(trifluoromethyl)cyclohexa-1,3-diene
CID 22021708

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene?
The IUPAC name of (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene (CID 139262991) is (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene.
What is the SMILES notation for (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene?
The canonical SMILES for (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene is FC(F)(F)C/C(=C(C(=C(/CC(F)(F)F)C(F)(F)F)\C(F)(F)F)/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene?
The InChIKey is LFFGSJJYJZAXCD-GLIMQPGKSA-N. The full InChI is InChI=1S/C12H4F18/c13-7(14,15)1-3(9(19,20)21)5(11(25,26)27)6(12(28,29)30)4(10(22,23)24)2-8(16,17)18/h1-2H2/b5-3-,6-4-.
What are the key properties of (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene?
(3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene has a molecular weight of 490.13 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1,1,1,8,8,8-hexafluoro-3,4,5,6-tetrakis(trifluoromethyl)octa-3,5-diene is sourced from PubChem (CID 139262991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).