fluoroform;sulfur dioxide;tritetrafluoroborate

CHB3F15O2S-3 — CID 174675716

IUPACfluoroform;sulfur dioxide;tritetrafluoroborate
SMILESFC(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O=S=O
InChIInChI=1S/CHF3.3BF4.O2S/c2-1(3)4;3*2-1(3,4)5;1-3-2/h1H;;;;/q;3*-1;
InChIKeyBALIVZAXFYYKNE-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.41
Rot. Bonds

About fluoroform;sulfur dioxide;tritetrafluoroborate

fluoroform;sulfur dioxide;tritetrafluoroborate (PubChem CID 174675716) has the molecular formula CHB3F15O2S-3 and a molecular weight of 394.49 g/mol. Its IUPAC name is fluoroform;sulfur dioxide;tritetrafluoroborate.

Molecular Properties

Compound Namefluoroform;sulfur dioxide;tritetrafluoroborate
PubChem CID174675716
Molecular FormulaCHB3F15O2S-3
Molecular Weight394.49 g/mol
Exact Mass394.98
IUPAC Namefluoroform;sulfur dioxide;tritetrafluoroborate
SMILESFC(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O=S=O
InChIInChI=1S/CHF3.3BF4.O2S/c2-1(3)4;3*2-1(3,4)5;1-3-2/h1H;;;;/q;3*-1;
InChIKeyBALIVZAXFYYKNE-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoroform;sulfur dioxide;tritetrafluoroborate?
The IUPAC name of fluoroform;sulfur dioxide;tritetrafluoroborate (CID 174675716) is fluoroform;sulfur dioxide;tritetrafluoroborate.
What is the SMILES notation for fluoroform;sulfur dioxide;tritetrafluoroborate?
The canonical SMILES for fluoroform;sulfur dioxide;tritetrafluoroborate is FC(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O=S=O.
What is the InChIKey of fluoroform;sulfur dioxide;tritetrafluoroborate?
The InChIKey is BALIVZAXFYYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3.3BF4.O2S/c2-1(3)4;3*2-1(3,4)5;1-3-2/h1H;;;;/q;3*-1;.
What are the key properties of fluoroform;sulfur dioxide;tritetrafluoroborate?
fluoroform;sulfur dioxide;tritetrafluoroborate has a molecular weight of 394.49 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;sulfur dioxide;tritetrafluoroborate is sourced from PubChem (CID 174675716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).