potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride

C4H7F3KNO4S — CID 173392620

IUPACpotassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride
SMILESCC(=O)N(CC(F)(F)F)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C4H6F3NO4S.K.H/c1-3(9)8(13(10,11)12)2-4(5,6)7;;/h2H2,1H3,(H,10,11,12);;/q;+1;-1
InChIKeyWVTLPDYKUADKHC-UHFFFAOYSA-N
MW261.26 g/mol
LogP-2.68
Rot. Bonds2

About potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride

potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride (PubChem CID 173392620) has the molecular formula C4H7F3KNO4S and a molecular weight of 261.26 g/mol. Its IUPAC name is potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride.

Molecular Properties

Compound Namepotassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride
PubChem CID173392620
Molecular FormulaC4H7F3KNO4S
Molecular Weight261.26 g/mol
Exact Mass260.97
IUPAC Namepotassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride
SMILESCC(=O)N(CC(F)(F)F)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C4H6F3NO4S.K.H/c1-3(9)8(13(10,11)12)2-4(5,6)7;;/h2H2,1H3,(H,10,11,12);;/q;+1;-1
InChIKeyWVTLPDYKUADKHC-UHFFFAOYSA-N
XLogP-2.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-2.68
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

N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59961165
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
[ethyl(2,2,2-trifluoroethyl)amino] hydrogen sulfate
CID 131724719
N-(2-bromoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 107492515
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258153
2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114806576
sulfuric acid;2,2,2-trifluoroethanol
CID 172737792
N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 56789010
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179

Frequently Asked Questions

What is the IUPAC name of potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride?
The IUPAC name of potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride (CID 173392620) is potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride.
What is the SMILES notation for potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride?
The canonical SMILES for potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride is CC(=O)N(CC(F)(F)F)S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride?
The InChIKey is WVTLPDYKUADKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S.K.H/c1-3(9)8(13(10,11)12)2-4(5,6)7;;/h2H2,1H3,(H,10,11,12);;/q;+1;-1.
What are the key properties of potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride?
potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride has a molecular weight of 261.26 g/mol, XLogP of -2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride is sourced from PubChem (CID 173392620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).