iodo N-fluoro-N-methylsulfamate

CH3FINO3S — CID 166892529

IUPACiodo N-fluoro-N-methylsulfamate
SMILESCN(F)S(=O)(=O)OI
InChIInChI=1S/CH3FINO3S/c1-4(2)8(5,6)7-3/h1H3
InChIKeyRFXMSJLOCDNIJD-UHFFFAOYSA-N
MW255.01 g/mol
LogP0.41
Rot. Bonds2

About iodo N-fluoro-N-methylsulfamate

iodo N-fluoro-N-methylsulfamate (PubChem CID 166892529) has the molecular formula CH3FINO3S and a molecular weight of 255.01 g/mol. Its IUPAC name is iodo N-fluoro-N-methylsulfamate.

Molecular Properties

Compound Nameiodo N-fluoro-N-methylsulfamate
PubChem CID166892529
Molecular FormulaCH3FINO3S
Molecular Weight255.01 g/mol
Exact Mass254.89
IUPAC Nameiodo N-fluoro-N-methylsulfamate
SMILESCN(F)S(=O)(=O)OI
InChIInChI=1S/CH3FINO3S/c1-4(2)8(5,6)7-3/h1H3
InChIKeyRFXMSJLOCDNIJD-UHFFFAOYSA-N
XLogP0.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.01
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo N-fluoro-N-methylsulfamate?
The IUPAC name of iodo N-fluoro-N-methylsulfamate (CID 166892529) is iodo N-fluoro-N-methylsulfamate.
What is the SMILES notation for iodo N-fluoro-N-methylsulfamate?
The canonical SMILES for iodo N-fluoro-N-methylsulfamate is CN(F)S(=O)(=O)OI.
What is the InChIKey of iodo N-fluoro-N-methylsulfamate?
The InChIKey is RFXMSJLOCDNIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3FINO3S/c1-4(2)8(5,6)7-3/h1H3.
What are the key properties of iodo N-fluoro-N-methylsulfamate?
iodo N-fluoro-N-methylsulfamate has a molecular weight of 255.01 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo N-fluoro-N-methylsulfamate is sourced from PubChem (CID 166892529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).