sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite

C14H13ClF2INaO3 — CID 158082542

IUPACsodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite
SMILESCc1cc(F)cc(I)c1O.Cc1cc(F)ccc1O.[Na+].[O-]Cl
InChIInChI=1S/C7H6FIO.C7H7FO.ClO.Na/c1-4-2-5(8)3-6(9)7(4)10;1-5-4-6(8)2-3-7(5)9;1-2;/h2-3,10H,1H3;2-4,9H,1H3;;/q;;-1;+1
InChIKeyFNCYKZRXRDIONN-UHFFFAOYSA-N
MW452.60 g/mol
LogP0.79
Rot. Bonds

About sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite

sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite (PubChem CID 158082542) has the molecular formula C14H13ClF2INaO3 and a molecular weight of 452.60 g/mol. Its IUPAC name is sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite.

Molecular Properties

Compound Namesodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite
PubChem CID158082542
Molecular FormulaC14H13ClF2INaO3
Molecular Weight452.60 g/mol
Exact Mass451.95
IUPAC Namesodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite
SMILESCc1cc(F)cc(I)c1O.Cc1cc(F)ccc1O.[Na+].[O-]Cl
InChIInChI=1S/C7H6FIO.C7H7FO.ClO.Na/c1-4-2-5(8)3-6(9)7(4)10;1-5-4-6(8)2-3-7(5)9;1-2;/h2-3,10H,1H3;2-4,9H,1H3;;/q;;-1;+1
InChIKeyFNCYKZRXRDIONN-UHFFFAOYSA-N
XLogP0.79
TPSA63.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite?
The IUPAC name of sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite (CID 158082542) is sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite.
What is the SMILES notation for sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite?
The canonical SMILES for sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite is Cc1cc(F)cc(I)c1O.Cc1cc(F)ccc1O.[Na+].[O-]Cl.
What is the InChIKey of sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite?
The InChIKey is FNCYKZRXRDIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIO.C7H7FO.ClO.Na/c1-4-2-5(8)3-6(9)7(4)10;1-5-4-6(8)2-3-7(5)9;1-2;/h2-3,10H,1H3;2-4,9H,1H3;;/q;;-1;+1.
What are the key properties of sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite?
sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite has a molecular weight of 452.60 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite is sourced from PubChem (CID 158082542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).