(2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene

C11H9F11O — CID 122591214

IUPAC(2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene
SMILESCCCOC(F)(/C(F)=C(F)/C(F)=C(\F)CF)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F11O/c1-2-3-23-9(17,10(18,19)11(20,21)22)8(16)7(15)6(14)5(13)4-12/h2-4H2,1H3/b6-5+,8-7+
InChIKeyDSJSHGVGCSRHGN-BSWSSELBSA-N
MW366.17 g/mol
LogP5.55
Rot. Bonds7

About (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene

(2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene (PubChem CID 122591214) has the molecular formula C11H9F11O and a molecular weight of 366.17 g/mol. Its IUPAC name is (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene
PubChem CID122591214
Molecular FormulaC11H9F11O
Molecular Weight366.17 g/mol
Exact Mass366.05
IUPAC Name(2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene
SMILESCCCOC(F)(/C(F)=C(F)/C(F)=C(\F)CF)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F11O/c1-2-3-23-9(17,10(18,19)11(20,21)22)8(16)7(15)6(14)5(13)4-12/h2-4H2,1H3/b6-5+,8-7+
InChIKeyDSJSHGVGCSRHGN-BSWSSELBSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.17
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene?
The IUPAC name of (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene (CID 122591214) is (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene.
What is the SMILES notation for (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene?
The canonical SMILES for (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene is CCCOC(F)(/C(F)=C(F)/C(F)=C(\F)CF)C(F)(F)C(F)(F)F.
What is the InChIKey of (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene?
The InChIKey is DSJSHGVGCSRHGN-BSWSSELBSA-N. The full InChI is InChI=1S/C11H9F11O/c1-2-3-23-9(17,10(18,19)11(20,21)22)8(16)7(15)6(14)5(13)4-12/h2-4H2,1H3/b6-5+,8-7+.
What are the key properties of (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene?
(2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene has a molecular weight of 366.17 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,2,3,4,5,6,7,7,8,8,8-undecafluoro-6-propoxyocta-2,4-diene is sourced from PubChem (CID 122591214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).