CID 58611430

H2BFOP — CID 58611430

IUPAC—
SMILES[3H][B]P(O)F
InChIInChI=1S/BFH2OP/c1-4(2)3/h1,3H/i1T
InChIKeyPYXVAMLTXZSBQF-CNRUNOGKSA-N
MW80.81 g/mol
LogP0.08
Rot. Bonds1

About CID 58611430

CID 58611430 (PubChem CID 58611430) has the molecular formula H2BFOP and a molecular weight of 80.81 g/mol.

Molecular Properties

Compound NameCID 58611430
PubChem CID58611430
Molecular FormulaH2BFOP
Molecular Weight80.81 g/mol
Exact Mass81.00
IUPAC Name—
SMILES[3H][B]P(O)F
InChIInChI=1S/BFH2OP/c1-4(2)3/h1,3H/i1T
InChIKeyPYXVAMLTXZSBQF-CNRUNOGKSA-N
XLogP0.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.81
LogP ≤ 50.08
H-Bond Donors ≤ 51
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 58611430?
The IUPAC name of CID 58611430 (CID 58611430) is not available.
What is the SMILES notation for CID 58611430?
The canonical SMILES for CID 58611430 is [3H][B]P(O)F.
What is the InChIKey of CID 58611430?
The InChIKey is PYXVAMLTXZSBQF-CNRUNOGKSA-N. The full InChI is InChI=1S/BFH2OP/c1-4(2)3/h1,3H/i1T.
What are the key properties of CID 58611430?
CID 58611430 has a molecular weight of 80.81 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58611430 is sourced from PubChem (CID 58611430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).