N-ethylhydroxylamine;trifluoromethanesulfonic acid

C3H8F3NO4S — CID 171926674

IUPACN-ethylhydroxylamine;trifluoromethanesulfonic acid
SMILESCCNO.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C2H7NO.CHF3O3S/c1-2-3-4;2-1(3,4)8(5,6)7/h3-4H,2H2,1H3;(H,5,6,7)
InChIKeyHVJIPFYUNMUGOS-UHFFFAOYSA-N
MW211.16 g/mol
LogP0.38
Rot. Bonds1

About N-ethylhydroxylamine;trifluoromethanesulfonic acid

N-ethylhydroxylamine;trifluoromethanesulfonic acid (PubChem CID 171926674) has the molecular formula C3H8F3NO4S and a molecular weight of 211.16 g/mol. Its IUPAC name is N-ethylhydroxylamine;trifluoromethanesulfonic acid.

Molecular Properties

Compound NameN-ethylhydroxylamine;trifluoromethanesulfonic acid
PubChem CID171926674
Molecular FormulaC3H8F3NO4S
Molecular Weight211.16 g/mol
Exact Mass211.01
IUPAC NameN-ethylhydroxylamine;trifluoromethanesulfonic acid
SMILESCCNO.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C2H7NO.CHF3O3S/c1-2-3-4;2-1(3,4)8(5,6)7/h3-4H,2H2,1H3;(H,5,6,7)
InChIKeyHVJIPFYUNMUGOS-UHFFFAOYSA-N
XLogP0.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylhydroxylamine;trifluoromethanesulfonic acid?
The IUPAC name of N-ethylhydroxylamine;trifluoromethanesulfonic acid (CID 171926674) is N-ethylhydroxylamine;trifluoromethanesulfonic acid.
What is the SMILES notation for N-ethylhydroxylamine;trifluoromethanesulfonic acid?
The canonical SMILES for N-ethylhydroxylamine;trifluoromethanesulfonic acid is CCNO.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of N-ethylhydroxylamine;trifluoromethanesulfonic acid?
The InChIKey is HVJIPFYUNMUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.CHF3O3S/c1-2-3-4;2-1(3,4)8(5,6)7/h3-4H,2H2,1H3;(H,5,6,7).
What are the key properties of N-ethylhydroxylamine;trifluoromethanesulfonic acid?
N-ethylhydroxylamine;trifluoromethanesulfonic acid has a molecular weight of 211.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhydroxylamine;trifluoromethanesulfonic acid is sourced from PubChem (CID 171926674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).