6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene

C18H12F14O — CID 57026860

IUPAC6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene
SMILESC=CCC(=CC(F)=C(F)C(F)(F)C(F)(F)F)OC(=CC(F)=C(F)C(F)(F)C(F)(F)F)CC=C
InChIInChI=1S/C18H12F14O/c1-3-5-9(7-11(19)13(21)15(23,24)17(27,28)29)33-10(6-4-2)8-12(20)14(22)16(25,26)18(30,31)32/h3-4,7-8H,1-2,5-6H2
InChIKeyYRKDKORWSRWSPB-UHFFFAOYSA-N
MW510.27 g/mol
LogP8.62
Rot. Bonds10

About 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene

6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene (PubChem CID 57026860) has the molecular formula C18H12F14O and a molecular weight of 510.27 g/mol. Its IUPAC name is 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene.

Molecular Properties

Compound Name6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene
PubChem CID57026860
Molecular FormulaC18H12F14O
Molecular Weight510.27 g/mol
Exact Mass510.07
IUPAC Name6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene
SMILESC=CCC(=CC(F)=C(F)C(F)(F)C(F)(F)F)OC(=CC(F)=C(F)C(F)(F)C(F)(F)F)CC=C
InChIInChI=1S/C18H12F14O/c1-3-5-9(7-11(19)13(21)15(23,24)17(27,28)29)33-10(6-4-2)8-12(20)14(22)16(25,26)18(30,31)32/h3-4,7-8H,1-2,5-6H2
InChIKeyYRKDKORWSRWSPB-UHFFFAOYSA-N
XLogP8.62
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 ≤ 58.62
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene?
The IUPAC name of 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene (CID 57026860) is 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene.
What is the SMILES notation for 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene?
The canonical SMILES for 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene is C=CCC(=CC(F)=C(F)C(F)(F)C(F)(F)F)OC(=CC(F)=C(F)C(F)(F)C(F)(F)F)CC=C.
What is the InChIKey of 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene?
The InChIKey is YRKDKORWSRWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F14O/c1-3-5-9(7-11(19)13(21)15(23,24)17(27,28)29)33-10(6-4-2)8-12(20)14(22)16(25,26)18(30,31)32/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene?
6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene has a molecular weight of 510.27 g/mol, XLogP of 8.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8,9,9,9-heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene is sourced from PubChem (CID 57026860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).