(2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

C8H2F12 — CID 135049717

IUPAC(2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESFC(F)(F)/C=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F
InChIInChI=1S/C8H2F12/c9-5(10,11)1-3(7(15,16)17)4(8(18,19)20)2-6(12,13)14/h1-2H/b3-1-,4-2-
InChIKeyZNIZTTSXPYOQLF-CCAGOZQPSA-N
MW326.08 g/mol
LogP5.09
Rot. Bonds1

About (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

(2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene (PubChem CID 135049717) has the molecular formula C8H2F12 and a molecular weight of 326.08 g/mol. Its IUPAC name is (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
PubChem CID135049717
Molecular FormulaC8H2F12
Molecular Weight326.08 g/mol
Exact Mass326.00
IUPAC Name(2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESFC(F)(F)/C=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F
InChIInChI=1S/C8H2F12/c9-5(10,11)1-3(7(15,16)17)4(8(18,19)20)2-6(12,13)14/h1-2H/b3-1-,4-2-
InChIKeyZNIZTTSXPYOQLF-CCAGOZQPSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.08
LogP ≤ 55.09
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

3-Methyl-1,1-bis(trifluoromethyl)butadiene
CID 85822569
Lithium, [2,4,6-tris(trifluoromethyl)phenyl]-
CID 11066102
Magnesium,[3,5-bis(trifluoromethyl)phenyl]bromo-
CID 11197896
Lithium 1,3-bis(trifluoromethyl)benzene-5-ide
CID 13583763
Magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide
CID 15865245
1,4-Bismethylene-2,3,5,6-tetrafluorobenzene
CID 67261759
Magnesium chloride 3,5-bis(trifluoromethyl)benzen-1-ide (1/1/1)
CID 71441881
2-Trifluoromethyl-3H-perfluoro-2-pentene
CID 10221377
(3E,5Z)-1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)hepta-3,5-diene-2-thione
CID 12613214
Tetrakis(trifluoromethyl)cyclooctatetraene
CID 12677455
1,2,3,4-Tetrakis(trifluoromethyl)buta-1,3-diene
CID 129862358
1,3-Bis(trifluoromethyl)cyclobutadiene
CID 129867768

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene (CID 135049717) is (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene is FC(F)(F)/C=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F.
What is the InChIKey of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The InChIKey is ZNIZTTSXPYOQLF-CCAGOZQPSA-N. The full InChI is InChI=1S/C8H2F12/c9-5(10,11)1-3(7(15,16)17)4(8(18,19)20)2-6(12,13)14/h1-2H/b3-1-,4-2-.
What are the key properties of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
(2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene has a molecular weight of 326.08 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 135049717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).