tris(fluoromethyl)silyl hydrogen sulfate

C3H7F3O4SSi — CID 56996342

IUPACtris(fluoromethyl)silyl hydrogen sulfate
SMILESO=S(=O)(O)O[Si](CF)(CF)CF
InChIInChI=1S/C3H7F3O4SSi/c4-1-12(2-5,3-6)10-11(7,8)9/h1-3H2,(H,7,8,9)
InChIKeyJICWIDUMIGDSRJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.28
Rot. Bonds5

About tris(fluoromethyl)silyl hydrogen sulfate

tris(fluoromethyl)silyl hydrogen sulfate (PubChem CID 56996342) has the molecular formula C3H7F3O4SSi and a molecular weight of 224.23 g/mol. Its IUPAC name is tris(fluoromethyl)silyl hydrogen sulfate.

Molecular Properties

Compound Nametris(fluoromethyl)silyl hydrogen sulfate
PubChem CID56996342
Molecular FormulaC3H7F3O4SSi
Molecular Weight224.23 g/mol
Exact Mass223.98
IUPAC Nametris(fluoromethyl)silyl hydrogen sulfate
SMILESO=S(=O)(O)O[Si](CF)(CF)CF
InChIInChI=1S/C3H7F3O4SSi/c4-1-12(2-5,3-6)10-11(7,8)9/h1-3H2,(H,7,8,9)
InChIKeyJICWIDUMIGDSRJ-UHFFFAOYSA-N
XLogP0.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributylsilyl hydrogen sulfate
CID 18317151
sulfooxy hydrogen sulfate
CID 24413
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
CID 159180001
CID 159180001
lanthanum;sulfurofluoridic acid
CID 173300480
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
fluoro hydrogen sulfate;zinc
CID 173138204
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614
azane;sulfooxy hydrogen sulfate;thiourea
CID 175196576
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642

Frequently Asked Questions

What is the IUPAC name of tris(fluoromethyl)silyl hydrogen sulfate?
The IUPAC name of tris(fluoromethyl)silyl hydrogen sulfate (CID 56996342) is tris(fluoromethyl)silyl hydrogen sulfate.
What is the SMILES notation for tris(fluoromethyl)silyl hydrogen sulfate?
The canonical SMILES for tris(fluoromethyl)silyl hydrogen sulfate is O=S(=O)(O)O[Si](CF)(CF)CF.
What is the InChIKey of tris(fluoromethyl)silyl hydrogen sulfate?
The InChIKey is JICWIDUMIGDSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3O4SSi/c4-1-12(2-5,3-6)10-11(7,8)9/h1-3H2,(H,7,8,9).
What are the key properties of tris(fluoromethyl)silyl hydrogen sulfate?
tris(fluoromethyl)silyl hydrogen sulfate has a molecular weight of 224.23 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(fluoromethyl)silyl hydrogen sulfate is sourced from PubChem (CID 56996342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).