3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene

C12H6F12O — CID 141233349

IUPAC3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene
SMILESC=CC(F)=C(OC(=C(F)C=C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H6F12O/c1-3-5(13)7(9(15,16)11(19,20)21)25-8(6(14)4-2)10(17,18)12(22,23)24/h3-4H,1-2H2
InChIKeyRJDJFRUJSHENPM-UHFFFAOYSA-N
MW394.16 g/mol
LogP6.13
Rot. Bonds6

About 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene

3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene (PubChem CID 141233349) has the molecular formula C12H6F12O and a molecular weight of 394.16 g/mol. Its IUPAC name is 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene.

Molecular Properties

Compound Name3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene
PubChem CID141233349
Molecular FormulaC12H6F12O
Molecular Weight394.16 g/mol
Exact Mass394.02
IUPAC Name3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene
SMILESC=CC(F)=C(OC(=C(F)C=C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H6F12O/c1-3-5(13)7(9(15,16)11(19,20)21)25-8(6(14)4-2)10(17,18)12(22,23)24/h3-4H,1-2H2
InChIKeyRJDJFRUJSHENPM-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.16
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene?
The IUPAC name of 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene (CID 141233349) is 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene.
What is the SMILES notation for 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene?
The canonical SMILES for 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene is C=CC(F)=C(OC(=C(F)C=C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene?
The InChIKey is RJDJFRUJSHENPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F12O/c1-3-5(13)7(9(15,16)11(19,20)21)25-8(6(14)4-2)10(17,18)12(22,23)24/h3-4H,1-2H2.
What are the key properties of 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene?
3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene has a molecular weight of 394.16 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,6,6,6-hexafluoro-4-(1,1,1,2,2,4-hexafluorohexa-3,5-dien-3-yloxy)hexa-1,3-diene is sourced from PubChem (CID 141233349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).