benzene;tris(sulfurofluoridic acid)

C6H9F3O9S3 — CID 173082368

IUPACbenzene;tris(sulfurofluoridic acid)
SMILESO=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.c1ccccc1
InChIInChI=1S/C6H6.3FHO3S/c1-2-4-6-5-3-1;3*1-5(2,3)4/h1-6H;3*(H,2,3,4)
InChIKeyCBMLRRLHWDSPQD-UHFFFAOYSA-N
MW378.32 g/mol
LogP0.96
Rot. Bonds

About benzene;tris(sulfurofluoridic acid)

benzene;tris(sulfurofluoridic acid) (PubChem CID 173082368) has the molecular formula C6H9F3O9S3 and a molecular weight of 378.32 g/mol. Its IUPAC name is benzene;tris(sulfurofluoridic acid).

Molecular Properties

Compound Namebenzene;tris(sulfurofluoridic acid)
PubChem CID173082368
Molecular FormulaC6H9F3O9S3
Molecular Weight378.32 g/mol
Exact Mass377.94
IUPAC Namebenzene;tris(sulfurofluoridic acid)
SMILESO=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.c1ccccc1
InChIInChI=1S/C6H6.3FHO3S/c1-2-4-6-5-3-1;3*1-5(2,3)4/h1-6H;3*(H,2,3,4)
InChIKeyCBMLRRLHWDSPQD-UHFFFAOYSA-N
XLogP0.96
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 159180001
CID 159180001
benzene;sulfuric acid
CID 19962519
lanthanum;sulfurofluoridic acid
CID 173300480
benzene;sulfuric acid
CID 160829970
benzene;sulfuryl difluoride
CID 18769602
benzene;trifluoromethanesulfonic acid
CID 87157881
hydrogen peroxide;sulfuryl difluoride
CID 175008946
benzene;methanesulfonyl fluoride
CID 157433018
pentafluoro-λ5-arsane;sulfurofluoridic acid
CID 160575370
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CID 174901351
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CID 87130846
CID 175927772
CID 175927772

Frequently Asked Questions

What is the IUPAC name of benzene;tris(sulfurofluoridic acid)?
The IUPAC name of benzene;tris(sulfurofluoridic acid) (CID 173082368) is benzene;tris(sulfurofluoridic acid).
What is the SMILES notation for benzene;tris(sulfurofluoridic acid)?
The canonical SMILES for benzene;tris(sulfurofluoridic acid) is O=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.c1ccccc1.
What is the InChIKey of benzene;tris(sulfurofluoridic acid)?
The InChIKey is CBMLRRLHWDSPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3FHO3S/c1-2-4-6-5-3-1;3*1-5(2,3)4/h1-6H;3*(H,2,3,4).
What are the key properties of benzene;tris(sulfurofluoridic acid)?
benzene;tris(sulfurofluoridic acid) has a molecular weight of 378.32 g/mol, XLogP of 0.96, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(sulfurofluoridic acid) is sourced from PubChem (CID 173082368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).