methanesulfonate;2,2,2-trifluoroethylazanium

C3H8F3NO3S — CID 142297495

IUPACmethanesulfonate;2,2,2-trifluoroethylazanium
SMILESCS(=O)(=O)[O-].[NH3+]CC(F)(F)F
InChIInChI=1S/C2H4F3N.CH4O3S/c3-2(4,5)1-6;1-5(2,3)4/h1,6H2;1H3,(H,2,3,4)
InChIKeyZKNPTEIDLKZKSF-UHFFFAOYSA-N
MW195.16 g/mol
LogP-1.05
Rot. Bonds

About methanesulfonate;2,2,2-trifluoroethylazanium

methanesulfonate;2,2,2-trifluoroethylazanium (PubChem CID 142297495) has the molecular formula C3H8F3NO3S and a molecular weight of 195.16 g/mol. Its IUPAC name is methanesulfonate;2,2,2-trifluoroethylazanium.

Molecular Properties

Compound Namemethanesulfonate;2,2,2-trifluoroethylazanium
PubChem CID142297495
Molecular FormulaC3H8F3NO3S
Molecular Weight195.16 g/mol
Exact Mass195.02
IUPAC Namemethanesulfonate;2,2,2-trifluoroethylazanium
SMILESCS(=O)(=O)[O-].[NH3+]CC(F)(F)F
InChIInChI=1S/C2H4F3N.CH4O3S/c3-2(4,5)1-6;1-5(2,3)4/h1,6H2;1H3,(H,2,3,4)
InChIKeyZKNPTEIDLKZKSF-UHFFFAOYSA-N
XLogP-1.05
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 5-1.05
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 methanesulfonate;2,2,2-trifluoroethylazanium?
The IUPAC name of methanesulfonate;2,2,2-trifluoroethylazanium (CID 142297495) is methanesulfonate;2,2,2-trifluoroethylazanium.
What is the SMILES notation for methanesulfonate;2,2,2-trifluoroethylazanium?
The canonical SMILES for methanesulfonate;2,2,2-trifluoroethylazanium is CS(=O)(=O)[O-].[NH3+]CC(F)(F)F.
What is the InChIKey of methanesulfonate;2,2,2-trifluoroethylazanium?
The InChIKey is ZKNPTEIDLKZKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3N.CH4O3S/c3-2(4,5)1-6;1-5(2,3)4/h1,6H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;2,2,2-trifluoroethylazanium?
methanesulfonate;2,2,2-trifluoroethylazanium has a molecular weight of 195.16 g/mol, XLogP of -1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;2,2,2-trifluoroethylazanium is sourced from PubChem (CID 142297495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).