[(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite

C11H17FO2 — CID 135213451

IUPAC[(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite
SMILESC/C=C/C=C/C(=O)CCC(CC)OF
InChIInChI=1S/C11H17FO2/c1-3-5-6-7-10(13)8-9-11(4-2)14-12/h3,5-7,11H,4,8-9H2,1-2H3/b5-3+,7-6+
InChIKeyOZGUTXMOYNZLHU-TWTPFVCWSA-N
MW200.25 g/mol
LogP3.15
Rot. Bonds7

About [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite

[(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite (PubChem CID 135213451) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite.

Molecular Properties

Compound Name[(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite
PubChem CID135213451
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name[(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite
SMILESC/C=C/C=C/C(=O)CCC(CC)OF
InChIInChI=1S/C11H17FO2/c1-3-5-6-7-10(13)8-9-11(4-2)14-12/h3,5-7,11H,4,8-9H2,1-2H3/b5-3+,7-6+
InChIKeyOZGUTXMOYNZLHU-TWTPFVCWSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite?
The IUPAC name of [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite (CID 135213451) is [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite.
What is the SMILES notation for [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite?
The canonical SMILES for [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite is C/C=C/C=C/C(=O)CCC(CC)OF.
What is the InChIKey of [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite?
The InChIKey is OZGUTXMOYNZLHU-TWTPFVCWSA-N. The full InChI is InChI=1S/C11H17FO2/c1-3-5-6-7-10(13)8-9-11(4-2)14-12/h3,5-7,11H,4,8-9H2,1-2H3/b5-3+,7-6+.
What are the key properties of [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite?
[(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite has a molecular weight of 200.25 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7E,9E)-6-oxoundeca-7,9-dien-3-yl] hypofluorite is sourced from PubChem (CID 135213451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).