naphthalene;trifluoromethanesulfonic acid;diazide

C11H9F3N6O3S-2 — CID 171923581

IUPACnaphthalene;trifluoromethanesulfonic acid;diazide
SMILESO=S(=O)(O)C(F)(F)F.[N-]=[N+]=[N-].[N-]=[N+]=[N-].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.CHF3O3S.2N3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3,4)8(5,6)7;2*1-3-2/h1-8H;(H,5,6,7);;/q;;2*-1
InChIKeyLFUCHMMYELVVKX-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.97
Rot. Bonds

About naphthalene;trifluoromethanesulfonic acid;diazide

naphthalene;trifluoromethanesulfonic acid;diazide (PubChem CID 171923581) has the molecular formula C11H9F3N6O3S-2 and a molecular weight of 362.29 g/mol. Its IUPAC name is naphthalene;trifluoromethanesulfonic acid;diazide.

Molecular Properties

Compound Namenaphthalene;trifluoromethanesulfonic acid;diazide
PubChem CID171923581
Molecular FormulaC11H9F3N6O3S-2
Molecular Weight362.29 g/mol
Exact Mass362.04
IUPAC Namenaphthalene;trifluoromethanesulfonic acid;diazide
SMILESO=S(=O)(O)C(F)(F)F.[N-]=[N+]=[N-].[N-]=[N+]=[N-].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.CHF3O3S.2N3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3,4)8(5,6)7;2*1-3-2/h1-8H;(H,5,6,7);;/q;;2*-1
InChIKeyLFUCHMMYELVVKX-UHFFFAOYSA-N
XLogP4.97
TPSA171.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalene;trifluoromethanesulfonic acid;diazide?
The IUPAC name of naphthalene;trifluoromethanesulfonic acid;diazide (CID 171923581) is naphthalene;trifluoromethanesulfonic acid;diazide.
What is the SMILES notation for naphthalene;trifluoromethanesulfonic acid;diazide?
The canonical SMILES for naphthalene;trifluoromethanesulfonic acid;diazide is O=S(=O)(O)C(F)(F)F.[N-]=[N+]=[N-].[N-]=[N+]=[N-].c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;trifluoromethanesulfonic acid;diazide?
The InChIKey is LFUCHMMYELVVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.CHF3O3S.2N3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3,4)8(5,6)7;2*1-3-2/h1-8H;(H,5,6,7);;/q;;2*-1.
What are the key properties of naphthalene;trifluoromethanesulfonic acid;diazide?
naphthalene;trifluoromethanesulfonic acid;diazide has a molecular weight of 362.29 g/mol, XLogP of 4.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;trifluoromethanesulfonic acid;diazide is sourced from PubChem (CID 171923581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).