benzene;rhodium(2+);trifluoromethanesulfonic acid

C13H11F3O3RhS — CID 157419342

IUPACbenzene;rhodium(2+);trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[Rh+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.CHF3O3S.Rh/c2*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h2*1-5H;(H,5,6,7);/q2*-1;;+2
InChIKeyVMTWRFWXQUPLHH-UHFFFAOYSA-N
MW407.20 g/mol
LogP3.37
Rot. Bonds

About benzene;rhodium(2+);trifluoromethanesulfonic acid

benzene;rhodium(2+);trifluoromethanesulfonic acid (PubChem CID 157419342) has the molecular formula C13H11F3O3RhS and a molecular weight of 407.20 g/mol. Its IUPAC name is benzene;rhodium(2+);trifluoromethanesulfonic acid.

Molecular Properties

Compound Namebenzene;rhodium(2+);trifluoromethanesulfonic acid
PubChem CID157419342
Molecular FormulaC13H11F3O3RhS
Molecular Weight407.20 g/mol
Exact Mass406.94
IUPAC Namebenzene;rhodium(2+);trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[Rh+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.CHF3O3S.Rh/c2*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h2*1-5H;(H,5,6,7);/q2*-1;;+2
InChIKeyVMTWRFWXQUPLHH-UHFFFAOYSA-N
XLogP3.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 175736701
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CID 160685071
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lithium;benzene;hydrobromide
CID 172849200
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CID 87139590
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Frequently Asked Questions

What is the IUPAC name of benzene;rhodium(2+);trifluoromethanesulfonic acid?
The IUPAC name of benzene;rhodium(2+);trifluoromethanesulfonic acid (CID 157419342) is benzene;rhodium(2+);trifluoromethanesulfonic acid.
What is the SMILES notation for benzene;rhodium(2+);trifluoromethanesulfonic acid?
The canonical SMILES for benzene;rhodium(2+);trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.[Rh+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;rhodium(2+);trifluoromethanesulfonic acid?
The InChIKey is VMTWRFWXQUPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.CHF3O3S.Rh/c2*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h2*1-5H;(H,5,6,7);/q2*-1;;+2.
What are the key properties of benzene;rhodium(2+);trifluoromethanesulfonic acid?
benzene;rhodium(2+);trifluoromethanesulfonic acid has a molecular weight of 407.20 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;rhodium(2+);trifluoromethanesulfonic acid is sourced from PubChem (CID 157419342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).