propan-2-amine;trifluoromethanesulfonic acid

C4H10F3NO3S — CID 171927940

IUPACpropan-2-amine;trifluoromethanesulfonic acid
SMILESCC(C)N.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C3H9N.CHF3O3S/c1-3(2)4;2-1(3,4)8(5,6)7/h3H,4H2,1-2H3;(H,5,6,7)
InChIKeyUVKIACHWAXHDTI-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.75
Rot. Bonds

About propan-2-amine;trifluoromethanesulfonic acid

propan-2-amine;trifluoromethanesulfonic acid (PubChem CID 171927940) has the molecular formula C4H10F3NO3S and a molecular weight of 209.19 g/mol. Its IUPAC name is propan-2-amine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namepropan-2-amine;trifluoromethanesulfonic acid
PubChem CID171927940
Molecular FormulaC4H10F3NO3S
Molecular Weight209.19 g/mol
Exact Mass209.03
IUPAC Namepropan-2-amine;trifluoromethanesulfonic acid
SMILESCC(C)N.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C3H9N.CHF3O3S/c1-3(2)4;2-1(3,4)8(5,6)7/h3H,4H2,1-2H3;(H,5,6,7)
InChIKeyUVKIACHWAXHDTI-UHFFFAOYSA-N
XLogP0.75
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of propan-2-amine;trifluoromethanesulfonic acid?
The IUPAC name of propan-2-amine;trifluoromethanesulfonic acid (CID 171927940) is propan-2-amine;trifluoromethanesulfonic acid.
What is the SMILES notation for propan-2-amine;trifluoromethanesulfonic acid?
The canonical SMILES for propan-2-amine;trifluoromethanesulfonic acid is CC(C)N.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of propan-2-amine;trifluoromethanesulfonic acid?
The InChIKey is UVKIACHWAXHDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CHF3O3S/c1-3(2)4;2-1(3,4)8(5,6)7/h3H,4H2,1-2H3;(H,5,6,7).
What are the key properties of propan-2-amine;trifluoromethanesulfonic acid?
propan-2-amine;trifluoromethanesulfonic acid has a molecular weight of 209.19 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;trifluoromethanesulfonic acid is sourced from PubChem (CID 171927940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).