5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene

C12H10F8O — CID 173446096

IUPAC5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene
SMILESFC(=CCC=COC=CCC=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F8O/c13-9(11(15,16)17)5-1-3-7-21-8-4-2-6-10(14)12(18,19)20/h3-8H,1-2H2
InChIKeyBSHXOVMTEABUKC-UHFFFAOYSA-N
MW322.20 g/mol
LogP5.64
Rot. Bonds6

About 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene

5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene (PubChem CID 173446096) has the molecular formula C12H10F8O and a molecular weight of 322.20 g/mol. Its IUPAC name is 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene.

Molecular Properties

Compound Name5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene
PubChem CID173446096
Molecular FormulaC12H10F8O
Molecular Weight322.20 g/mol
Exact Mass322.06
IUPAC Name5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene
SMILESFC(=CCC=COC=CCC=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F8O/c13-9(11(15,16)17)5-1-3-7-21-8-4-2-6-10(14)12(18,19)20/h3-8H,1-2H2
InChIKeyBSHXOVMTEABUKC-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.20
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene?
The IUPAC name of 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene (CID 173446096) is 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene.
What is the SMILES notation for 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene?
The canonical SMILES for 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene is FC(=CCC=COC=CCC=C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene?
The InChIKey is BSHXOVMTEABUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8O/c13-9(11(15,16)17)5-1-3-7-21-8-4-2-6-10(14)12(18,19)20/h3-8H,1-2H2.
What are the key properties of 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene?
5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene has a molecular weight of 322.20 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6,6-tetrafluoro-1-(5,6,6,6-tetrafluorohexa-1,4-dienoxy)hexa-1,4-diene is sourced from PubChem (CID 173446096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).