trifluoromethyl N-propylsulfamate

C4H8F3NO3S — CID 91366587

IUPACtrifluoromethyl N-propylsulfamate
SMILESCCCNS(=O)(=O)OC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-2-3-8-12(9,10)11-4(5,6)7/h8H,2-3H2,1H3
InChIKeyJNGBUXULEUMFQI-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.77
Rot. Bonds4

About trifluoromethyl N-propylsulfamate

trifluoromethyl N-propylsulfamate (PubChem CID 91366587) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is trifluoromethyl N-propylsulfamate.

Molecular Properties

Compound Nametrifluoromethyl N-propylsulfamate
PubChem CID91366587
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Nametrifluoromethyl N-propylsulfamate
SMILESCCCNS(=O)(=O)OC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-2-3-8-12(9,10)11-4(5,6)7/h8H,2-3H2,1H3
InChIKeyJNGBUXULEUMFQI-UHFFFAOYSA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-propylsulfamate?
The IUPAC name of trifluoromethyl N-propylsulfamate (CID 91366587) is trifluoromethyl N-propylsulfamate.
What is the SMILES notation for trifluoromethyl N-propylsulfamate?
The canonical SMILES for trifluoromethyl N-propylsulfamate is CCCNS(=O)(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-propylsulfamate?
The InChIKey is JNGBUXULEUMFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c1-2-3-8-12(9,10)11-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of trifluoromethyl N-propylsulfamate?
trifluoromethyl N-propylsulfamate has a molecular weight of 207.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-propylsulfamate is sourced from PubChem (CID 91366587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).