2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite

C7H11FO4 — CID 129212447

IUPAC2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite
SMILESO=C1CC(O)CC(CCOF)O1
InChIInChI=1S/C7H11FO4/c8-11-2-1-6-3-5(9)4-7(10)12-6/h5-6,9H,1-4H2
InChIKeyCQYCOPWLNIXAQE-UHFFFAOYSA-N
MW178.16 g/mol
LogP0.34
Rot. Bonds3

About 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite

2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite (PubChem CID 129212447) has the molecular formula C7H11FO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite
PubChem CID129212447
Molecular FormulaC7H11FO4
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC Name2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite
SMILESO=C1CC(O)CC(CCOF)O1
InChIInChI=1S/C7H11FO4/c8-11-2-1-6-3-5(9)4-7(10)12-6/h5-6,9H,1-4H2
InChIKeyCQYCOPWLNIXAQE-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite?
The IUPAC name of 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite (CID 129212447) is 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite.
What is the SMILES notation for 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite?
The canonical SMILES for 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite is O=C1CC(O)CC(CCOF)O1.
What is the InChIKey of 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite?
The InChIKey is CQYCOPWLNIXAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4/c8-11-2-1-6-3-5(9)4-7(10)12-6/h5-6,9H,1-4H2.
What are the key properties of 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite?
2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite has a molecular weight of 178.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxooxan-2-yl)ethyl hypofluorite is sourced from PubChem (CID 129212447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).