[(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite

C8H11FO — CID 145379014

IUPAC[(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite
SMILESC=C/C=C(\C=C)C(C)OF
InChIInChI=1S/C8H11FO/c1-4-6-8(5-2)7(3)10-9/h4-7H,1-2H2,3H3/b8-6+
InChIKeyURROVSUTWPZKLH-SOFGYWHQSA-N
MW142.17 g/mol
LogP2.57
Rot. Bonds4

About [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite

[(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite (PubChem CID 145379014) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite.

Molecular Properties

Compound Name[(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite
PubChem CID145379014
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name[(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite
SMILESC=C/C=C(\C=C)C(C)OF
InChIInChI=1S/C8H11FO/c1-4-6-8(5-2)7(3)10-9/h4-7H,1-2H2,3H3/b8-6+
InChIKeyURROVSUTWPZKLH-SOFGYWHQSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite?
The IUPAC name of [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite (CID 145379014) is [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite.
What is the SMILES notation for [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite?
The canonical SMILES for [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite is C=C/C=C(\C=C)C(C)OF.
What is the InChIKey of [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite?
The InChIKey is URROVSUTWPZKLH-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H11FO/c1-4-6-8(5-2)7(3)10-9/h4-7H,1-2H2,3H3/b8-6+.
What are the key properties of [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite?
[(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite has a molecular weight of 142.17 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-ethenylhexa-3,5-dien-2-yl] hypofluorite is sourced from PubChem (CID 145379014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).