1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene

C12F18O — CID 87548397

IUPAC1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(OC(=C(F)F)C(F)(F)C(F)(F)C(F)=C(F)F)=C(F)F
InChIInChI=1S/C12F18O/c13-1(5(15)16)9(23,24)11(27,28)3(7(19)20)31-4(8(21)22)12(29,30)10(25,26)2(14)6(17)18
InChIKeyIMOXXVHIZFIHNG-UHFFFAOYSA-N
MW502.10 g/mol
LogP7.92
Rot. Bonds8

About 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene

1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene (PubChem CID 87548397) has the molecular formula C12F18O and a molecular weight of 502.10 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene
PubChem CID87548397
Molecular FormulaC12F18O
Molecular Weight502.10 g/mol
Exact Mass501.97
IUPAC Name1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(OC(=C(F)F)C(F)(F)C(F)(F)C(F)=C(F)F)=C(F)F
InChIInChI=1S/C12F18O/c13-1(5(15)16)9(23,24)11(27,28)3(7(19)20)31-4(8(21)22)12(29,30)10(25,26)2(14)6(17)18
InChIKeyIMOXXVHIZFIHNG-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.10
LogP ≤ 57.92
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'}

Analyze 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene?
The IUPAC name of 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene (CID 87548397) is 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene.
What is the SMILES notation for 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene?
The canonical SMILES for 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene is FC(F)=C(F)C(F)(F)C(F)(F)C(OC(=C(F)F)C(F)(F)C(F)(F)C(F)=C(F)F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene?
The InChIKey is IMOXXVHIZFIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F18O/c13-1(5(15)16)9(23,24)11(27,28)3(7(19)20)31-4(8(21)22)12(29,30)10(25,26)2(14)6(17)18.
What are the key properties of 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene?
1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene has a molecular weight of 502.10 g/mol, XLogP of 7.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,6,6-nonafluoro-5-(1,1,3,3,4,4,5,6,6-nonafluorohexa-1,5-dien-2-yloxy)hexa-1,5-diene is sourced from PubChem (CID 87548397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).