CID 158160416

HB2F4 — CID 158160416

IUPAC—
SMILESF.FB(F)F.[B]
InChIInChI=1S/BF3.B.FH/c2-1(3)4;;/h;;1H
InChIKeyFWEWYAABKQMESF-UHFFFAOYSA-N
MW98.62 g/mol
LogP0.65
Rot. Bonds

About CID 158160416

CID 158160416 (PubChem CID 158160416) has the molecular formula HB2F4 and a molecular weight of 98.62 g/mol.

Molecular Properties

Compound NameCID 158160416
PubChem CID158160416
Molecular FormulaHB2F4
Molecular Weight98.62 g/mol
Exact Mass99.02
IUPAC Name—
SMILESF.FB(F)F.[B]
InChIInChI=1S/BF3.B.FH/c2-1(3)4;;/h;;1H
InChIKeyFWEWYAABKQMESF-UHFFFAOYSA-N
XLogP0.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.62
LogP ≤ 50.65
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 158160416?
The IUPAC name of CID 158160416 (CID 158160416) is not available.
What is the SMILES notation for CID 158160416?
The canonical SMILES for CID 158160416 is F.FB(F)F.[B].
What is the InChIKey of CID 158160416?
The InChIKey is FWEWYAABKQMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/BF3.B.FH/c2-1(3)4;;/h;;1H.
What are the key properties of CID 158160416?
CID 158160416 has a molecular weight of 98.62 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158160416 is sourced from PubChem (CID 158160416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).