pent-4-enyl hypofluorite

C5H9FO — CID 151403757

IUPACpent-4-enyl hypofluorite
SMILESC=CCCCOF
InChIInChI=1S/C5H9FO/c1-2-3-4-5-7-6/h2H,1,3-5H2
InChIKeyOXBHHQRBXQAWCU-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.85
Rot. Bonds4

About pent-4-enyl hypofluorite

pent-4-enyl hypofluorite (PubChem CID 151403757) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is pent-4-enyl hypofluorite.

Molecular Properties

Compound Namepent-4-enyl hypofluorite
PubChem CID151403757
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Namepent-4-enyl hypofluorite
SMILESC=CCCCOF
InChIInChI=1S/C5H9FO/c1-2-3-4-5-7-6/h2H,1,3-5H2
InChIKeyOXBHHQRBXQAWCU-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-4-enyl hypofluorite?
The IUPAC name of pent-4-enyl hypofluorite (CID 151403757) is pent-4-enyl hypofluorite.
What is the SMILES notation for pent-4-enyl hypofluorite?
The canonical SMILES for pent-4-enyl hypofluorite is C=CCCCOF.
What is the InChIKey of pent-4-enyl hypofluorite?
The InChIKey is OXBHHQRBXQAWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-2-3-4-5-7-6/h2H,1,3-5H2.
What are the key properties of pent-4-enyl hypofluorite?
pent-4-enyl hypofluorite has a molecular weight of 104.12 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enyl hypofluorite is sourced from PubChem (CID 151403757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).