ethyl N,N-difluorosulfamate

C2H5F2NO3S — CID 155476897

IUPACethyl N,N-difluorosulfamate
SMILESCCOS(=O)(=O)N(F)F
InChIInChI=1S/C2H5F2NO3S/c1-2-8-9(6,7)5(3)4/h2H2,1H3
InChIKeyDKJOWJLILLDHLC-UHFFFAOYSA-N
MW161.13 g/mol
LogP0.34
Rot. Bonds3

About ethyl N,N-difluorosulfamate

ethyl N,N-difluorosulfamate (PubChem CID 155476897) has the molecular formula C2H5F2NO3S and a molecular weight of 161.13 g/mol. Its IUPAC name is ethyl N,N-difluorosulfamate.

Molecular Properties

Compound Nameethyl N,N-difluorosulfamate
PubChem CID155476897
Molecular FormulaC2H5F2NO3S
Molecular Weight161.13 g/mol
Exact Mass161.00
IUPAC Nameethyl N,N-difluorosulfamate
SMILESCCOS(=O)(=O)N(F)F
InChIInChI=1S/C2H5F2NO3S/c1-2-8-9(6,7)5(3)4/h2H2,1H3
InChIKeyDKJOWJLILLDHLC-UHFFFAOYSA-N
XLogP0.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-methyl-N-(methylamino)sulfamate
CID 158472520
CID 159839688
CID 159839688
ethyl fluoro sulfate
CID 88599587
ethyl hydrogen sulfate
CID 6004
bromosulfonyloxyethane
CID 154228998
ethyl methanesulfonate;hydrofluoride
CID 174826290
dysprosium(3+);ethyl sulfate
CID 57346753
ethyl sulfate;yttrium(3+)
CID 57361497
diethyl sulfate;iodoethane
CID 157176238
diethyl sulfate;sulfuric acid
CID 158458335
cadmium(2+);ethyl sulfate
CID 57361489
ethyl sulfate;thulium(3+)
CID 25022214

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-difluorosulfamate?
The IUPAC name of ethyl N,N-difluorosulfamate (CID 155476897) is ethyl N,N-difluorosulfamate.
What is the SMILES notation for ethyl N,N-difluorosulfamate?
The canonical SMILES for ethyl N,N-difluorosulfamate is CCOS(=O)(=O)N(F)F.
What is the InChIKey of ethyl N,N-difluorosulfamate?
The InChIKey is DKJOWJLILLDHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO3S/c1-2-8-9(6,7)5(3)4/h2H2,1H3.
What are the key properties of ethyl N,N-difluorosulfamate?
ethyl N,N-difluorosulfamate has a molecular weight of 161.13 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-difluorosulfamate is sourced from PubChem (CID 155476897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).