4-methylpenta-2,4-dienyl hypofluorite

C6H9FO — CID 123720351

IUPAC4-methylpenta-2,4-dienyl hypofluorite
SMILESC=C(C)C=CCOF
InChIInChI=1S/C6H9FO/c1-6(2)4-3-5-8-7/h3-4H,1,5H2,2H3
InChIKeyZZOOSZYQIWMZSU-UHFFFAOYSA-N
MW116.13 g/mol
LogP2.02
Rot. Bonds3

About 4-methylpenta-2,4-dienyl hypofluorite

4-methylpenta-2,4-dienyl hypofluorite (PubChem CID 123720351) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 4-methylpenta-2,4-dienyl hypofluorite.

Molecular Properties

Compound Name4-methylpenta-2,4-dienyl hypofluorite
PubChem CID123720351
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name4-methylpenta-2,4-dienyl hypofluorite
SMILESC=C(C)C=CCOF
InChIInChI=1S/C6H9FO/c1-6(2)4-3-5-8-7/h3-4H,1,5H2,2H3
InChIKeyZZOOSZYQIWMZSU-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 52.02
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 4-methylpenta-2,4-dienyl hypofluorite?
The IUPAC name of 4-methylpenta-2,4-dienyl hypofluorite (CID 123720351) is 4-methylpenta-2,4-dienyl hypofluorite.
What is the SMILES notation for 4-methylpenta-2,4-dienyl hypofluorite?
The canonical SMILES for 4-methylpenta-2,4-dienyl hypofluorite is C=C(C)C=CCOF.
What is the InChIKey of 4-methylpenta-2,4-dienyl hypofluorite?
The InChIKey is ZZOOSZYQIWMZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-6(2)4-3-5-8-7/h3-4H,1,5H2,2H3.
What are the key properties of 4-methylpenta-2,4-dienyl hypofluorite?
4-methylpenta-2,4-dienyl hypofluorite has a molecular weight of 116.13 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-2,4-dienyl hypofluorite is sourced from PubChem (CID 123720351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).