3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene

C18H12F14O — CID 173248037

IUPAC3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene
SMILESC=CC(C(=C)OC(=C)C(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/C18H12F14O/c1-5-9(11(19)13(21)15(23,24)17(27,28)29)7(3)33-8(4)10(6-2)12(20)14(22)16(25,26)18(30,31)32/h5-6,9-10H,1-4H2
InChIKeyLJEMQZCFBVHYCC-UHFFFAOYSA-N
MW510.27 g/mol
LogP8.33
Rot. Bonds10

About 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene

3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene (PubChem CID 173248037) has the molecular formula C18H12F14O and a molecular weight of 510.27 g/mol. Its IUPAC name is 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene.

Molecular Properties

Compound Name3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene
PubChem CID173248037
Molecular FormulaC18H12F14O
Molecular Weight510.27 g/mol
Exact Mass510.07
IUPAC Name3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene
SMILESC=CC(C(=C)OC(=C)C(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/C18H12F14O/c1-5-9(11(19)13(21)15(23,24)17(27,28)29)7(3)33-8(4)10(6-2)12(20)14(22)16(25,26)18(30,31)32/h5-6,9-10H,1-4H2
InChIKeyLJEMQZCFBVHYCC-UHFFFAOYSA-N
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.27
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene?
The IUPAC name of 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene (CID 173248037) is 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene.
What is the SMILES notation for 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene?
The canonical SMILES for 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene is C=CC(C(=C)OC(=C)C(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 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene?
The InChIKey is LJEMQZCFBVHYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F14O/c1-5-9(11(19)13(21)15(23,24)17(27,28)29)7(3)33-8(4)10(6-2)12(20)14(22)16(25,26)18(30,31)32/h5-6,9-10H,1-4H2.
What are the key properties of 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene?
3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene has a molecular weight of 510.27 g/mol, XLogP of 8.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(3-ethenyl-4,5,6,6,7,7,7-heptafluorohepta-1,4-dien-2-yl)oxy-4,5,6,6,7,7,7-heptafluorohepta-1,4-diene is sourced from PubChem (CID 173248037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).