ethylazanium;trifluoromethanesulfonate

C3H8F3NO3S — CID 88926541

IUPACethylazanium;trifluoromethanesulfonate
SMILESCC[NH3+].O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C2H7N.CHF3O3S/c1-2-3;2-1(3,4)8(5,6)7/h2-3H2,1H3;(H,5,6,7)
InChIKeyRZLNQEMIXUBMRI-UHFFFAOYSA-N
MW195.16 g/mol
LogP-0.70
Rot. Bonds

About ethylazanium;trifluoromethanesulfonate

ethylazanium;trifluoromethanesulfonate (PubChem CID 88926541) has the molecular formula C3H8F3NO3S and a molecular weight of 195.16 g/mol. Its IUPAC name is ethylazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Nameethylazanium;trifluoromethanesulfonate
PubChem CID88926541
Molecular FormulaC3H8F3NO3S
Molecular Weight195.16 g/mol
Exact Mass195.02
IUPAC Nameethylazanium;trifluoromethanesulfonate
SMILESCC[NH3+].O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C2H7N.CHF3O3S/c1-2-3;2-1(3,4)8(5,6)7/h2-3H2,1H3;(H,5,6,7)
InChIKeyRZLNQEMIXUBMRI-UHFFFAOYSA-N
XLogP-0.70
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 ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-1,1,1-trifluoromethanesulfonamide
CID 11229101
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
Propylazanium;trifluoromethanesulfonate
CID 21654999
N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 23025388
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
N-(2-fluoroethyl)methanesulfonamide
CID 57549171
N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 64586125
N-(2,2-difluoroethyl)methanesulfonamide
CID 79090744
Butylazanium;trifluoromethanesulfonate
CID 87424834
N-ethyl-1-fluoromethanesulfonamide
CID 89091332

Frequently Asked Questions

What is the IUPAC name of ethylazanium;trifluoromethanesulfonate?
The IUPAC name of ethylazanium;trifluoromethanesulfonate (CID 88926541) is ethylazanium;trifluoromethanesulfonate.
What is the SMILES notation for ethylazanium;trifluoromethanesulfonate?
The canonical SMILES for ethylazanium;trifluoromethanesulfonate is CC[NH3+].O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of ethylazanium;trifluoromethanesulfonate?
The InChIKey is RZLNQEMIXUBMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CHF3O3S/c1-2-3;2-1(3,4)8(5,6)7/h2-3H2,1H3;(H,5,6,7).
What are the key properties of ethylazanium;trifluoromethanesulfonate?
ethylazanium;trifluoromethanesulfonate has a molecular weight of 195.16 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;trifluoromethanesulfonate is sourced from PubChem (CID 88926541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).