potassium N-(3,3,3-trifluoropropyl)sulfamate

C3H5F3KNO3S — CID 23705469

IUPACpotassium N-(3,3,3-trifluoropropyl)sulfamate
SMILESO=S(=O)([O-])NCCC(F)(F)F.[K+]
InChIInChI=1S/C3H6F3NO3S.K/c4-3(5,6)1-2-7-11(8,9)10;/h7H,1-2H2,(H,8,9,10);/q;+1/p-1
InChIKeyACAWAKXZKFWFEU-UHFFFAOYSA-M
MW231.24 g/mol
LogP-3.01
Rot. Bonds3

About potassium N-(3,3,3-trifluoropropyl)sulfamate

potassium N-(3,3,3-trifluoropropyl)sulfamate (PubChem CID 23705469) has the molecular formula C3H5F3KNO3S and a molecular weight of 231.24 g/mol. Its IUPAC name is potassium N-(3,3,3-trifluoropropyl)sulfamate.

Molecular Properties

Compound Namepotassium N-(3,3,3-trifluoropropyl)sulfamate
PubChem CID23705469
Molecular FormulaC3H5F3KNO3S
Molecular Weight231.24 g/mol
Exact Mass230.96
IUPAC Namepotassium N-(3,3,3-trifluoropropyl)sulfamate
SMILESO=S(=O)([O-])NCCC(F)(F)F.[K+]
InChIInChI=1S/C3H6F3NO3S.K/c4-3(5,6)1-2-7-11(8,9)10;/h7H,1-2H2,(H,8,9,10);/q;+1/p-1
InChIKeyACAWAKXZKFWFEU-UHFFFAOYSA-M
XLogP-3.01
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 5-3.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-3-(sulfinatoamino)propane
CID 17933131
Difluoroethylsulfamide
CID 112695841
3,3,3-Trifluoropropylsulfamic acid
CID 17804131
N-(1,2,2-trifluoroethyl)sulfamoyl chloride
CID 21867276
potassium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23705468
sodium N-(3,3,3-trifluoropropyl)sulfamate
CID 23705471
potassium;N-(2,2,2-trifluoroethyl)sulfamate
CID 23705472
N-(2,2-difluoroethyl)sulfamate
CID 86632791
2,2-Difluoroethylsulfamic acid
CID 86632792
1,1,1-Trifluoro-2-(sulfamoylamino)ethane
CID 87272721
trifluoromethyl N-ethylsulfamate
CID 91451951
N-(2,2-difluoroethyl)sulfamoyl chloride
CID 114958413

Frequently Asked Questions

What is the IUPAC name of potassium N-(3,3,3-trifluoropropyl)sulfamate?
The IUPAC name of potassium N-(3,3,3-trifluoropropyl)sulfamate (CID 23705469) is potassium N-(3,3,3-trifluoropropyl)sulfamate.
What is the SMILES notation for potassium N-(3,3,3-trifluoropropyl)sulfamate?
The canonical SMILES for potassium N-(3,3,3-trifluoropropyl)sulfamate is O=S(=O)([O-])NCCC(F)(F)F.[K+].
What is the InChIKey of potassium N-(3,3,3-trifluoropropyl)sulfamate?
The InChIKey is ACAWAKXZKFWFEU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F3NO3S.K/c4-3(5,6)1-2-7-11(8,9)10;/h7H,1-2H2,(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium N-(3,3,3-trifluoropropyl)sulfamate?
potassium N-(3,3,3-trifluoropropyl)sulfamate has a molecular weight of 231.24 g/mol, XLogP of -3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(3,3,3-trifluoropropyl)sulfamate is sourced from PubChem (CID 23705469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).