oxane-2,6-dione;hydrofluoride

C5H7FO3 — CID 158320792

IUPACoxane-2,6-dione;hydrofluoride
SMILESF.O=C1CCCC(=O)O1
InChIInChI=1S/C5H6O3.FH/c6-4-2-1-3-5(7)8-4;/h1-3H2;1H
InChIKeyYJZUBKXNVYGIKM-UHFFFAOYSA-N
MW134.11 g/mol
LogP0.39
Rot. Bonds

About oxane-2,6-dione;hydrofluoride

oxane-2,6-dione;hydrofluoride (PubChem CID 158320792) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is oxane-2,6-dione;hydrofluoride.

Molecular Properties

Compound Nameoxane-2,6-dione;hydrofluoride
PubChem CID158320792
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Nameoxane-2,6-dione;hydrofluoride
SMILESF.O=C1CCCC(=O)O1
InChIInChI=1S/C5H6O3.FH/c6-4-2-1-3-5(7)8-4;/h1-3H2;1H
InChIKeyYJZUBKXNVYGIKM-UHFFFAOYSA-N
XLogP0.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2,6-13C2)oxane-2,6-dione
CID 45039353
methanol;oxane-2,6-dione
CID 175106856
oxane-2,6-dione;oxolan-2-one
CID 87464853
oxacyclododecane-2,12-dione
CID 14785770
oxolane-2,5-dione;zinc
CID 159620051
ethene;oxolane-2,5-dione
CID 88750918
(213C)oxolan-2-one
CID 175700736
(14Z)-1-oxacyclooctadec-14-ene-2,18-dione
CID 156873588
3-methylfuran;oxane-2,6-dione
CID 160731170
bis(2-methylprop-2-enoic acid);oxepane-2,7-dione
CID 87784863
3,5,6,7-tetrahydro-2H-furo[3,2-h][1]benzoxepin-8-one
CID 609166
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605

Frequently Asked Questions

What is the IUPAC name of oxane-2,6-dione;hydrofluoride?
The IUPAC name of oxane-2,6-dione;hydrofluoride (CID 158320792) is oxane-2,6-dione;hydrofluoride.
What is the SMILES notation for oxane-2,6-dione;hydrofluoride?
The canonical SMILES for oxane-2,6-dione;hydrofluoride is F.O=C1CCCC(=O)O1.
What is the InChIKey of oxane-2,6-dione;hydrofluoride?
The InChIKey is YJZUBKXNVYGIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.FH/c6-4-2-1-3-5(7)8-4;/h1-3H2;1H.
What are the key properties of oxane-2,6-dione;hydrofluoride?
oxane-2,6-dione;hydrofluoride has a molecular weight of 134.11 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-2,6-dione;hydrofluoride is sourced from PubChem (CID 158320792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).