trifluoromethyl N-ethylsulfamate

C3H6F3NO3S — CID 91451951

IUPACtrifluoromethyl N-ethylsulfamate
SMILESCCNS(=O)(=O)OC(F)(F)F
InChIInChI=1S/C3H6F3NO3S/c1-2-7-11(8,9)10-3(4,5)6/h7H,2H2,1H3
InChIKeyMOPIOPJUZXZREX-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.38
Rot. Bonds3

About trifluoromethyl N-ethylsulfamate

trifluoromethyl N-ethylsulfamate (PubChem CID 91451951) has the molecular formula C3H6F3NO3S and a molecular weight of 193.15 g/mol. Its IUPAC name is trifluoromethyl N-ethylsulfamate.

Molecular Properties

Compound Nametrifluoromethyl N-ethylsulfamate
PubChem CID91451951
Molecular FormulaC3H6F3NO3S
Molecular Weight193.15 g/mol
Exact Mass193.00
IUPAC Nametrifluoromethyl N-ethylsulfamate
SMILESCCNS(=O)(=O)OC(F)(F)F
InChIInChI=1S/C3H6F3NO3S/c1-2-7-11(8,9)10-3(4,5)6/h7H,2H2,1H3
InChIKeyMOPIOPJUZXZREX-UHFFFAOYSA-N
XLogP0.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyl-1,1,1-trifluoromethanesulfonamide
CID 11229101
1,1,1-Trifluoro-3-(sulfinatoamino)propane
CID 17933131
Difluoroethylsulfamide
CID 112695841
N-(1,2,2-trifluoroethyl)sulfamoyl chloride
CID 21867276
potassium;N-(3,3,3-trifluoropropyl)sulfamate
CID 23705469
sodium N-(3,3,3-trifluoropropyl)sulfamate
CID 23705471
N-(2,2-difluoroethyl)sulfamate
CID 86632791
2,2-Difluoroethylsulfamic acid
CID 86632792
1,1,1-Trifluoro-2-(sulfamoylamino)ethane
CID 87272721
trifluoromethyl N-propylsulfamate
CID 91366587
2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
CID 114807143
N-(2,2-difluoroethyl)sulfamoyl chloride
CID 114958413

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-ethylsulfamate?
The IUPAC name of trifluoromethyl N-ethylsulfamate (CID 91451951) is trifluoromethyl N-ethylsulfamate.
What is the SMILES notation for trifluoromethyl N-ethylsulfamate?
The canonical SMILES for trifluoromethyl N-ethylsulfamate is CCNS(=O)(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-ethylsulfamate?
The InChIKey is MOPIOPJUZXZREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO3S/c1-2-7-11(8,9)10-3(4,5)6/h7H,2H2,1H3.
What are the key properties of trifluoromethyl N-ethylsulfamate?
trifluoromethyl N-ethylsulfamate has a molecular weight of 193.15 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-ethylsulfamate is sourced from PubChem (CID 91451951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).