potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate

C3H5F3KNO3S — CID 23705467

IUPACpotassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
SMILESCN(CC(F)(F)F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C3H6F3NO3S.K/c1-7(11(8,9)10)2-3(4,5)6;/h2H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyGNUHIMDSSSFMJO-UHFFFAOYSA-M
MW231.24 g/mol
LogP-3.06
Rot. Bonds2

About potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate

potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate (PubChem CID 23705467) has the molecular formula C3H5F3KNO3S and a molecular weight of 231.24 g/mol. Its IUPAC name is potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate.

Molecular Properties

Compound Namepotassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
PubChem CID23705467
Molecular FormulaC3H5F3KNO3S
Molecular Weight231.24 g/mol
Exact Mass230.96
IUPAC Namepotassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
SMILESCN(CC(F)(F)F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C3H6F3NO3S.K/c1-7(11(8,9)10)2-3(4,5)6;/h2H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyGNUHIMDSSSFMJO-UHFFFAOYSA-M
XLogP-3.06
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate?
The IUPAC name of potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate (CID 23705467) is potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate.
What is the SMILES notation for potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate?
The canonical SMILES for potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate is CN(CC(F)(F)F)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate?
The InChIKey is GNUHIMDSSSFMJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F3NO3S.K/c1-7(11(8,9)10)2-3(4,5)6;/h2H2,1H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate?
potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate has a molecular weight of 231.24 g/mol, XLogP of -3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate is sourced from PubChem (CID 23705467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).