(1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene

C12H4F12 — CID 12677455

IUPAC(1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene
SMILESFC(F)(F)C1=C(C(F)(F)F)/C(C(F)(F)F)=C\C=C/C=C\1C(F)(F)F
InChIInChI=1S/C12H4F12/c13-9(14,15)5-3-1-2-4-6(10(16,17)18)8(12(22,23)24)7(5)11(19,20)21/h1-4H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5-,8-6-,8-7-
InChIKeyACNPYQUTYGXOHM-KYKNRBEOSA-N
MW376.14 g/mol
LogP5.95
Rot. Bonds

About (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene

(1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene (PubChem CID 12677455) has the molecular formula C12H4F12 and a molecular weight of 376.14 g/mol. Its IUPAC name is (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene
PubChem CID12677455
Molecular FormulaC12H4F12
Molecular Weight376.14 g/mol
Exact Mass376.01
IUPAC Name(1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene
SMILESFC(F)(F)C1=C(C(F)(F)F)/C(C(F)(F)F)=C\C=C/C=C\1C(F)(F)F
InChIInChI=1S/C12H4F12/c13-9(14,15)5-3-1-2-4-6(10(16,17)18)8(12(22,23)24)7(5)11(19,20)21/h1-4H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5-,8-6-,8-7-
InChIKeyACNPYQUTYGXOHM-KYKNRBEOSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.14
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene?
The IUPAC name of (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene (CID 12677455) is (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene is FC(F)(F)C1=C(C(F)(F)F)/C(C(F)(F)F)=C\C=C/C=C\1C(F)(F)F.
What is the InChIKey of (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene?
The InChIKey is ACNPYQUTYGXOHM-KYKNRBEOSA-N. The full InChI is InChI=1S/C12H4F12/c13-9(14,15)5-3-1-2-4-6(10(16,17)18)8(12(22,23)24)7(5)11(19,20)21/h1-4H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5-,8-6-,8-7-.
What are the key properties of (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene?
(1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene has a molecular weight of 376.14 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z,7E)-1,2,3,8-tetrakis(trifluoromethyl)cycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 12677455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).