naphthalen-1-amine;trifluoromethanesulfonic acid

C11H10F3NO3S — CID 175237675

IUPACnaphthalen-1-amine;trifluoromethanesulfonic acid
SMILESNc1cccc2ccccc12.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H9N.CHF3O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1(3,4)8(5,6)7/h1-7H,11H2;(H,5,6,7)
InChIKeyHKODJUWVEJWCDI-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.82
Rot. Bonds

About naphthalen-1-amine;trifluoromethanesulfonic acid

naphthalen-1-amine;trifluoromethanesulfonic acid (PubChem CID 175237675) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is naphthalen-1-amine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namenaphthalen-1-amine;trifluoromethanesulfonic acid
PubChem CID175237675
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Namenaphthalen-1-amine;trifluoromethanesulfonic acid
SMILESNc1cccc2ccccc12.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H9N.CHF3O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1(3,4)8(5,6)7/h1-7H,11H2;(H,5,6,7)
InChIKeyHKODJUWVEJWCDI-UHFFFAOYSA-N
XLogP2.82
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 naphthalen-1-amine;trifluoromethanesulfonic acid?
The IUPAC name of naphthalen-1-amine;trifluoromethanesulfonic acid (CID 175237675) is naphthalen-1-amine;trifluoromethanesulfonic acid.
What is the SMILES notation for naphthalen-1-amine;trifluoromethanesulfonic acid?
The canonical SMILES for naphthalen-1-amine;trifluoromethanesulfonic acid is Nc1cccc2ccccc12.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of naphthalen-1-amine;trifluoromethanesulfonic acid?
The InChIKey is HKODJUWVEJWCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.CHF3O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1(3,4)8(5,6)7/h1-7H,11H2;(H,5,6,7).
What are the key properties of naphthalen-1-amine;trifluoromethanesulfonic acid?
naphthalen-1-amine;trifluoromethanesulfonic acid has a molecular weight of 293.27 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-amine;trifluoromethanesulfonic acid is sourced from PubChem (CID 175237675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).