3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene

C14H10F12O3 — CID 90122866

IUPAC3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene
SMILESC=C(OC(=C)C(F)=C(F)C(F)(OC)C(F)(F)F)C(F)=C(F)C(F)(OC)C(F)(F)F
InChIInChI=1S/C14H10F12O3/c1-5(7(15)9(17)11(19,27-3)13(21,22)23)29-6(2)8(16)10(18)12(20,28-4)14(24,25)26/h1-2H2,3-4H3
InChIKeyQFYAXFWGZNZWJK-UHFFFAOYSA-N
MW454.21 g/mol
LogP6.08
Rot. Bonds8

About 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene

3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene (PubChem CID 90122866) has the molecular formula C14H10F12O3 and a molecular weight of 454.21 g/mol. Its IUPAC name is 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene.

Molecular Properties

Compound Name3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene
PubChem CID90122866
Molecular FormulaC14H10F12O3
Molecular Weight454.21 g/mol
Exact Mass454.04
IUPAC Name3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene
SMILESC=C(OC(=C)C(F)=C(F)C(F)(OC)C(F)(F)F)C(F)=C(F)C(F)(OC)C(F)(F)F
InChIInChI=1S/C14H10F12O3/c1-5(7(15)9(17)11(19,27-3)13(21,22)23)29-6(2)8(16)10(18)12(20,28-4)14(24,25)26/h1-2H2,3-4H3
InChIKeyQFYAXFWGZNZWJK-UHFFFAOYSA-N
XLogP6.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.21
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene?
The IUPAC name of 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene (CID 90122866) is 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene.
What is the SMILES notation for 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene?
The canonical SMILES for 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene is C=C(OC(=C)C(F)=C(F)C(F)(OC)C(F)(F)F)C(F)=C(F)C(F)(OC)C(F)(F)F.
What is the InChIKey of 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene?
The InChIKey is QFYAXFWGZNZWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F12O3/c1-5(7(15)9(17)11(19,27-3)13(21,22)23)29-6(2)8(16)10(18)12(20,28-4)14(24,25)26/h1-2H2,3-4H3.
What are the key properties of 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene?
3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene has a molecular weight of 454.21 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,6,6-hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methoxyhexa-1,3-dien-2-yl)oxy-5-methoxyhexa-1,3-diene is sourced from PubChem (CID 90122866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).