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

Name: Sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₃ClF₂INaO₃ — CID 158082542

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite
PubChem CID	158082542
Molecular Formula	C₁₄H₁₃ClF₂INaO₃
Molecular Weight	452.60 g/mol
Exact Mass	451.95
IUPAC Name	sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite
SMILES	Cc1cc(F)cc(I)c1O.Cc1cc(F)ccc1O.[Na+].[O-]Cl
InChI	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
InChIKey	FNCYKZRXRDIONN-UHFFFAOYSA-N
XLogP	0.79
TPSA	63.52 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 158082542 — identifiers, structure, computed properties (public domain)

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