4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene

C14H8F14O — CID 173314457

IUPAC4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene
SMILESC=CC(OC(C=C)C(F)=C(F)C(F)(F)C(F)(F)F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F14O/c1-3-5(7(15)9(17)11(19,20)13(23,24)25)29-6(4-2)8(16)10(18)12(21,22)14(26,27)28/h3-6H,1-2H2
InChIKeyPZDRNDSEBJDLGK-UHFFFAOYSA-N
MW458.19 g/mol
LogP6.81
Rot. Bonds8

About 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene

4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene (PubChem CID 173314457) has the molecular formula C14H8F14O and a molecular weight of 458.19 g/mol. Its IUPAC name is 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene.

Molecular Properties

Compound Name4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene
PubChem CID173314457
Molecular FormulaC14H8F14O
Molecular Weight458.19 g/mol
Exact Mass458.04
IUPAC Name4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene
SMILESC=CC(OC(C=C)C(F)=C(F)C(F)(F)C(F)(F)F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F14O/c1-3-5(7(15)9(17)11(19,20)13(23,24)25)29-6(4-2)8(16)10(18)12(21,22)14(26,27)28/h3-6H,1-2H2
InChIKeyPZDRNDSEBJDLGK-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.19
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene?
The IUPAC name of 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene (CID 173314457) is 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene.
What is the SMILES notation for 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene?
The canonical SMILES for 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene is C=CC(OC(C=C)C(F)=C(F)C(F)(F)C(F)(F)F)C(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene?
The InChIKey is PZDRNDSEBJDLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F14O/c1-3-5(7(15)9(17)11(19,20)13(23,24)25)29-6(4-2)8(16)10(18)12(21,22)14(26,27)28/h3-6H,1-2H2.
What are the key properties of 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene?
4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene has a molecular weight of 458.19 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6,7,7,7-heptafluoro-3-(4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-3-yloxy)hepta-1,4-diene is sourced from PubChem (CID 173314457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).