ethanamine;trifluoromethanesulfonic acid

C3H8F3NO3S — CID 171926671

IUPACethanamine;trifluoromethanesulfonic acid
SMILESCCN.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
LogP0.36
Rot. Bonds

About ethanamine;trifluoromethanesulfonic acid

ethanamine;trifluoromethanesulfonic acid (PubChem CID 171926671) has the molecular formula C3H8F3NO3S and a molecular weight of 195.16 g/mol. Its IUPAC name is ethanamine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nameethanamine;trifluoromethanesulfonic acid
PubChem CID171926671
Molecular FormulaC3H8F3NO3S
Molecular Weight195.16 g/mol
Exact Mass195.02
IUPAC Nameethanamine;trifluoromethanesulfonic acid
SMILESCCN.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
XLogP0.36
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
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

Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N-ethylethanamine (1:1)
CID 173774
N-Ethyl-1,1,1-trifluoromethanesulfonamide
CID 11229101
Ethylammonium trifluoromethane sulfonate
CID 88926541
[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane
CID 20705464
Propylazanium;trifluoromethanesulfonate
CID 21654999
Butan-1-amine;trifluoromethanesulfonic acid
CID 71816272
Methanesulfonate;2,2,2-trifluoroethylazanium
CID 142297495
ethane;N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 144287024
Ethane-1,2-diamine;trifluoromethanesulfonic acid
CID 158484425
N-ethylhydroxylamine;trifluoromethanesulfonic acid
CID 171926674
Propan-1-amine;trifluoromethanesulfonic acid
CID 171927680
Propan-2-amine;trifluoromethanesulfonic acid
CID 171927940

Frequently Asked Questions

What is the IUPAC name of ethanamine;trifluoromethanesulfonic acid?
The IUPAC name of ethanamine;trifluoromethanesulfonic acid (CID 171926671) is ethanamine;trifluoromethanesulfonic acid.
What is the SMILES notation for ethanamine;trifluoromethanesulfonic acid?
The canonical SMILES for ethanamine;trifluoromethanesulfonic acid is CCN.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of ethanamine;trifluoromethanesulfonic acid?
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 ethanamine;trifluoromethanesulfonic acid?
ethanamine;trifluoromethanesulfonic acid has a molecular weight of 195.16 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;trifluoromethanesulfonic acid is sourced from PubChem (CID 171926671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).