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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Related Compounds

2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
CID 87154616
ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403
2,2,2-trifluoro-N-hydroxy-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 162606518
methyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 59280663
silyl 2,2,2-trifluoroethanesulfonate
CID 150644822
2-(2,2,2-trifluoroethylsulfonyl)ethanamine
CID 58685127
1-(2,2,2-trifluoroethylsulfonyl)butane
CID 13096090
1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 151114367

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).