4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene

C14H10F16O — CID 87940521

IUPAC4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(F)(F)C(F)(F)C(F)(F)C(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H10F16O/c1-5(3-9(19,20)13(27,28)11(23,24)7(15)16)31-6(2)4-10(21,22)14(29,30)12(25,26)8(17)18/h7-8H,1-4H2
InChIKeyOERJFRIPRKODCA-UHFFFAOYSA-N
MW498.20 g/mol
LogP7.15
Rot. Bonds12

About 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene

4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene (PubChem CID 87940521) has the molecular formula C14H10F16O and a molecular weight of 498.20 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene
PubChem CID87940521
Molecular FormulaC14H10F16O
Molecular Weight498.20 g/mol
Exact Mass498.05
IUPAC Name4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(F)(F)C(F)(F)C(F)(F)C(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H10F16O/c1-5(3-9(19,20)13(27,28)11(23,24)7(15)16)31-6(2)4-10(21,22)14(29,30)12(25,26)8(17)18/h7-8H,1-4H2
InChIKeyOERJFRIPRKODCA-UHFFFAOYSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.20
LogP ≤ 57.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene (CID 87940521) is 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene is C=C(CC(F)(F)C(F)(F)C(F)(F)C(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene?
The InChIKey is OERJFRIPRKODCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F16O/c1-5(3-9(19,20)13(27,28)11(23,24)7(15)16)31-6(2)4-10(21,22)14(29,30)12(25,26)8(17)18/h7-8H,1-4H2.
What are the key properties of 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene?
4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene has a molecular weight of 498.20 g/mol, XLogP of 7.15, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7-octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 87940521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).