CID 71417850

C2H2BF — CID 71417850

IUPAC—
SMILES[B]C=CF
InChIInChI=1S/C2H2BF/c3-1-2-4/h1-2H
InChIKeyMMVZQZQNNDIPIF-UHFFFAOYSA-N
MW55.85 g/mol
LogP0.60
Rot. Bonds

About CID 71417850

CID 71417850 (PubChem CID 71417850) has the molecular formula C2H2BF and a molecular weight of 55.85 g/mol.

Molecular Properties

Compound NameCID 71417850
PubChem CID71417850
Molecular FormulaC2H2BF
Molecular Weight55.85 g/mol
Exact Mass56.02
IUPAC Name—
SMILES[B]C=CF
InChIInChI=1S/C2H2BF/c3-1-2-4/h1-2H
InChIKeyMMVZQZQNNDIPIF-UHFFFAOYSA-N
XLogP0.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50055.85
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 CID 71417850?
The IUPAC name of CID 71417850 (CID 71417850) is not available.
What is the SMILES notation for CID 71417850?
The canonical SMILES for CID 71417850 is [B]C=CF.
What is the InChIKey of CID 71417850?
The InChIKey is MMVZQZQNNDIPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BF/c3-1-2-4/h1-2H.
What are the key properties of CID 71417850?
CID 71417850 has a molecular weight of 55.85 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71417850 is sourced from PubChem (CID 71417850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).