potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate

C3H5F3KNO3S — CID 23705468

IUPACpotassium N-(1,1,1-trifluoropropan-2-yl)sulfamate
SMILESCC(NS(=O)(=O)[O-])C(F)(F)F.[K+]
InChIInChI=1S/C3H6F3NO3S.K/c1-2(3(4,5)6)7-11(8,9)10;/h2,7H,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyRLTHFZNSXVICIJ-UHFFFAOYSA-M
MW231.24 g/mol
LogP-3.01
Rot. Bonds2

About potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate

potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate (PubChem CID 23705468) has the molecular formula C3H5F3KNO3S and a molecular weight of 231.24 g/mol. Its IUPAC name is potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate.

Molecular Properties

Compound Namepotassium N-(1,1,1-trifluoropropan-2-yl)sulfamate
PubChem CID23705468
Molecular FormulaC3H5F3KNO3S
Molecular Weight231.24 g/mol
Exact Mass230.96
IUPAC Namepotassium N-(1,1,1-trifluoropropan-2-yl)sulfamate
SMILESCC(NS(=O)(=O)[O-])C(F)(F)F.[K+]
InChIInChI=1S/C3H6F3NO3S.K/c1-2(3(4,5)6)7-11(8,9)10;/h2,7H,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyRLTHFZNSXVICIJ-UHFFFAOYSA-M
XLogP-3.01
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate?
The IUPAC name of potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate (CID 23705468) is potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate.
What is the SMILES notation for potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate?
The canonical SMILES for potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate is CC(NS(=O)(=O)[O-])C(F)(F)F.[K+].
What is the InChIKey of potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate?
The InChIKey is RLTHFZNSXVICIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F3NO3S.K/c1-2(3(4,5)6)7-11(8,9)10;/h2,7H,1H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate?
potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate has a molecular weight of 231.24 g/mol, XLogP of -3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(1,1,1-trifluoropropan-2-yl)sulfamate is sourced from PubChem (CID 23705468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).