phenoxy hypofluorite;hydrochloride

C6H6ClFO2 — CID 161041711

IUPACphenoxy hypofluorite;hydrochloride
SMILESCl.FOOc1ccccc1
InChIInChI=1S/C6H5FO2.ClH/c7-9-8-6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyXJTWGIRUIULAAB-UHFFFAOYSA-N
MW164.56 g/mol
LogP2.30
Rot. Bonds2

About phenoxy hypofluorite;hydrochloride

phenoxy hypofluorite;hydrochloride (PubChem CID 161041711) has the molecular formula C6H6ClFO2 and a molecular weight of 164.56 g/mol. Its IUPAC name is phenoxy hypofluorite;hydrochloride.

Molecular Properties

Compound Namephenoxy hypofluorite;hydrochloride
PubChem CID161041711
Molecular FormulaC6H6ClFO2
Molecular Weight164.56 g/mol
Exact Mass164.00
IUPAC Namephenoxy hypofluorite;hydrochloride
SMILESCl.FOOc1ccccc1
InChIInChI=1S/C6H5FO2.ClH/c7-9-8-6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyXJTWGIRUIULAAB-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.56
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenoxy hypofluorite;hydrochloride?
The IUPAC name of phenoxy hypofluorite;hydrochloride (CID 161041711) is phenoxy hypofluorite;hydrochloride.
What is the SMILES notation for phenoxy hypofluorite;hydrochloride?
The canonical SMILES for phenoxy hypofluorite;hydrochloride is Cl.FOOc1ccccc1.
What is the InChIKey of phenoxy hypofluorite;hydrochloride?
The InChIKey is XJTWGIRUIULAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2.ClH/c7-9-8-6-4-2-1-3-5-6;/h1-5H;1H.
What are the key properties of phenoxy hypofluorite;hydrochloride?
phenoxy hypofluorite;hydrochloride has a molecular weight of 164.56 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy hypofluorite;hydrochloride is sourced from PubChem (CID 161041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).