methanidyl(2,2,2-trifluoroethylsulfonyl)azanium

C3H6F3NO2S — CID 59280662

IUPACmethanidyl(2,2,2-trifluoroethylsulfonyl)azanium
SMILES[CH2-][NH2+]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-7-10(8,9)2-3(4,5)6/h1-2,7H2
InChIKeyWTOXOABMDJIKKS-UHFFFAOYSA-N
MW177.15 g/mol
LogP-0.77
Rot. Bonds2

About methanidyl(2,2,2-trifluoroethylsulfonyl)azanium

methanidyl(2,2,2-trifluoroethylsulfonyl)azanium (PubChem CID 59280662) has the molecular formula C3H6F3NO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is methanidyl(2,2,2-trifluoroethylsulfonyl)azanium.

Molecular Properties

Compound Namemethanidyl(2,2,2-trifluoroethylsulfonyl)azanium
PubChem CID59280662
Molecular FormulaC3H6F3NO2S
Molecular Weight177.15 g/mol
Exact Mass177.01
IUPAC Namemethanidyl(2,2,2-trifluoroethylsulfonyl)azanium
SMILES[CH2-][NH2+]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-7-10(8,9)2-3(4,5)6/h1-2,7H2
InChIKeyWTOXOABMDJIKKS-UHFFFAOYSA-N
XLogP-0.77
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl(2,2,2-trifluoroethylsulfonyl)azanium?
The IUPAC name of methanidyl(2,2,2-trifluoroethylsulfonyl)azanium (CID 59280662) is methanidyl(2,2,2-trifluoroethylsulfonyl)azanium.
What is the SMILES notation for methanidyl(2,2,2-trifluoroethylsulfonyl)azanium?
The canonical SMILES for methanidyl(2,2,2-trifluoroethylsulfonyl)azanium is [CH2-][NH2+]S(=O)(=O)CC(F)(F)F.
What is the InChIKey of methanidyl(2,2,2-trifluoroethylsulfonyl)azanium?
The InChIKey is WTOXOABMDJIKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S/c1-7-10(8,9)2-3(4,5)6/h1-2,7H2.
What are the key properties of methanidyl(2,2,2-trifluoroethylsulfonyl)azanium?
methanidyl(2,2,2-trifluoroethylsulfonyl)azanium has a molecular weight of 177.15 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(2,2,2-trifluoroethylsulfonyl)azanium is sourced from PubChem (CID 59280662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).