5,5-dihydroxypentyl hypofluorite

C5H11FO3 — CID 163730225

IUPAC5,5-dihydroxypentyl hypofluorite
SMILESOC(O)CCCCOF
InChIInChI=1S/C5H11FO3/c6-9-4-2-1-3-5(7)8/h5,7-8H,1-4H2
InChIKeyKYYWAEQHZPIUEE-UHFFFAOYSA-N
MW138.14 g/mol
LogP0.37
Rot. Bonds5

About 5,5-dihydroxypentyl hypofluorite

5,5-dihydroxypentyl hypofluorite (PubChem CID 163730225) has the molecular formula C5H11FO3 and a molecular weight of 138.14 g/mol. Its IUPAC name is 5,5-dihydroxypentyl hypofluorite.

Molecular Properties

Compound Name5,5-dihydroxypentyl hypofluorite
PubChem CID163730225
Molecular FormulaC5H11FO3
Molecular Weight138.14 g/mol
Exact Mass138.07
IUPAC Name5,5-dihydroxypentyl hypofluorite
SMILESOC(O)CCCCOF
InChIInChI=1S/C5H11FO3/c6-9-4-2-1-3-5(7)8/h5,7-8H,1-4H2
InChIKeyKYYWAEQHZPIUEE-UHFFFAOYSA-N
XLogP0.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxypentyl hypofluorite?
The IUPAC name of 5,5-dihydroxypentyl hypofluorite (CID 163730225) is 5,5-dihydroxypentyl hypofluorite.
What is the SMILES notation for 5,5-dihydroxypentyl hypofluorite?
The canonical SMILES for 5,5-dihydroxypentyl hypofluorite is OC(O)CCCCOF.
What is the InChIKey of 5,5-dihydroxypentyl hypofluorite?
The InChIKey is KYYWAEQHZPIUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3/c6-9-4-2-1-3-5(7)8/h5,7-8H,1-4H2.
What are the key properties of 5,5-dihydroxypentyl hypofluorite?
5,5-dihydroxypentyl hypofluorite has a molecular weight of 138.14 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxypentyl hypofluorite is sourced from PubChem (CID 163730225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).