iron tritetrafluoroborate

B3F12Fe-3 — CID 175279017

IUPACiron tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Fe]
InChIInChI=1S/3BF4.Fe/c3*2-1(3,4)5;/q3*-1;
InChIKeyQNVVZEQGECIYJF-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.90
Rot. Bonds

About iron tritetrafluoroborate

iron tritetrafluoroborate (PubChem CID 175279017) has the molecular formula B3F12Fe-3 and a molecular weight of 316.26 g/mol. Its IUPAC name is iron tritetrafluoroborate.

Molecular Properties

Compound Nameiron tritetrafluoroborate
PubChem CID175279017
Molecular FormulaB3F12Fe-3
Molecular Weight316.26 g/mol
Exact Mass316.95
IUPAC Nameiron tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Fe]
InChIInChI=1S/3BF4.Fe/c3*2-1(3,4)5;/q3*-1;
InChIKeyQNVVZEQGECIYJF-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.90
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 iron tritetrafluoroborate?
The IUPAC name of iron tritetrafluoroborate (CID 175279017) is iron tritetrafluoroborate.
What is the SMILES notation for iron tritetrafluoroborate?
The canonical SMILES for iron tritetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Fe].
What is the InChIKey of iron tritetrafluoroborate?
The InChIKey is QNVVZEQGECIYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/3BF4.Fe/c3*2-1(3,4)5;/q3*-1;.
What are the key properties of iron tritetrafluoroborate?
iron tritetrafluoroborate has a molecular weight of 316.26 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron tritetrafluoroborate is sourced from PubChem (CID 175279017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).