trifluoromethyl N-ethyl-N-methylsulfamate

C4H8F3NO3S — CID 170390142

IUPACtrifluoromethyl N-ethyl-N-methylsulfamate
SMILESCCN(C)S(=O)(=O)OC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-3-8(2)12(9,10)11-4(5,6)7/h3H2,1-2H3
InChIKeyJUNKNOSFYFDIQF-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.72
Rot. Bonds3

About trifluoromethyl N-ethyl-N-methylsulfamate

trifluoromethyl N-ethyl-N-methylsulfamate (PubChem CID 170390142) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is trifluoromethyl N-ethyl-N-methylsulfamate.

Molecular Properties

Compound Nametrifluoromethyl N-ethyl-N-methylsulfamate
PubChem CID170390142
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Nametrifluoromethyl N-ethyl-N-methylsulfamate
SMILESCCN(C)S(=O)(=O)OC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-3-8(2)12(9,10)11-4(5,6)7/h3H2,1-2H3
InChIKeyJUNKNOSFYFDIQF-UHFFFAOYSA-N
XLogP0.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-ethyl-N-methylsulfamate?
The IUPAC name of trifluoromethyl N-ethyl-N-methylsulfamate (CID 170390142) is trifluoromethyl N-ethyl-N-methylsulfamate.
What is the SMILES notation for trifluoromethyl N-ethyl-N-methylsulfamate?
The canonical SMILES for trifluoromethyl N-ethyl-N-methylsulfamate is CCN(C)S(=O)(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-ethyl-N-methylsulfamate?
The InChIKey is JUNKNOSFYFDIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c1-3-8(2)12(9,10)11-4(5,6)7/h3H2,1-2H3.
What are the key properties of trifluoromethyl N-ethyl-N-methylsulfamate?
trifluoromethyl N-ethyl-N-methylsulfamate has a molecular weight of 207.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-ethyl-N-methylsulfamate is sourced from PubChem (CID 170390142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).