CID 158550042

BFOPS+ — CID 158550042

IUPAC—
SMILES[B][P+](F)=S=O
InChIInChI=1S/BFOPS/c1-4(2)5-3/q+1
InChIKeyXOXDQZOBQCQXOR-UHFFFAOYSA-N
MW108.85 g/mol
LogP0.56
Rot. Bonds

About CID 158550042

CID 158550042 (PubChem CID 158550042) has the molecular formula BFOPS+ and a molecular weight of 108.85 g/mol.

Molecular Properties

Compound NameCID 158550042
PubChem CID158550042
Molecular FormulaBFOPS+
Molecular Weight108.85 g/mol
Exact Mass108.95
IUPAC Name—
SMILES[B][P+](F)=S=O
InChIInChI=1S/BFOPS/c1-4(2)5-3/q+1
InChIKeyXOXDQZOBQCQXOR-UHFFFAOYSA-N
XLogP0.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.85
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158550042?
The IUPAC name of CID 158550042 (CID 158550042) is not available.
What is the SMILES notation for CID 158550042?
The canonical SMILES for CID 158550042 is [B][P+](F)=S=O.
What is the InChIKey of CID 158550042?
The InChIKey is XOXDQZOBQCQXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/BFOPS/c1-4(2)5-3/q+1.
What are the key properties of CID 158550042?
CID 158550042 has a molecular weight of 108.85 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158550042 is sourced from PubChem (CID 158550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).