fluoro N-fluoro-N-methylsulfamate

CH3F2NO3S — CID 88764643

IUPACfluoro N-fluoro-N-methylsulfamate
SMILESCN(F)S(=O)(=O)OF
InChIInChI=1S/CH3F2NO3S/c1-4(2)8(5,6)7-3/h1H3
InChIKeyXVFBOTOCGVSJHT-UHFFFAOYSA-N
MW147.10 g/mol
LogP-0.05
Rot. Bonds2

About fluoro N-fluoro-N-methylsulfamate

fluoro N-fluoro-N-methylsulfamate (PubChem CID 88764643) has the molecular formula CH3F2NO3S and a molecular weight of 147.10 g/mol. Its IUPAC name is fluoro N-fluoro-N-methylsulfamate.

Molecular Properties

Compound Namefluoro N-fluoro-N-methylsulfamate
PubChem CID88764643
Molecular FormulaCH3F2NO3S
Molecular Weight147.10 g/mol
Exact Mass146.98
IUPAC Namefluoro N-fluoro-N-methylsulfamate
SMILESCN(F)S(=O)(=O)OF
InChIInChI=1S/CH3F2NO3S/c1-4(2)8(5,6)7-3/h1H3
InChIKeyXVFBOTOCGVSJHT-UHFFFAOYSA-N
XLogP-0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro N-fluoro-N-methylsulfamate?
The IUPAC name of fluoro N-fluoro-N-methylsulfamate (CID 88764643) is fluoro N-fluoro-N-methylsulfamate.
What is the SMILES notation for fluoro N-fluoro-N-methylsulfamate?
The canonical SMILES for fluoro N-fluoro-N-methylsulfamate is CN(F)S(=O)(=O)OF.
What is the InChIKey of fluoro N-fluoro-N-methylsulfamate?
The InChIKey is XVFBOTOCGVSJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3F2NO3S/c1-4(2)8(5,6)7-3/h1H3.
What are the key properties of fluoro N-fluoro-N-methylsulfamate?
fluoro N-fluoro-N-methylsulfamate has a molecular weight of 147.10 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro N-fluoro-N-methylsulfamate is sourced from PubChem (CID 88764643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).