iron;methanol;tetrafluoroborate

CH4BF4FeO- — CID 175497481

IUPACiron;methanol;tetrafluoroborate
SMILESCO.F[B-](F)(F)F.[Fe]
InChIInChI=1S/CH4O.BF4.Fe/c1-2;2-1(3,4)5;/h2H,1H3;;/q;-1;
InChIKeyMMGLDODLRXMQEQ-UHFFFAOYSA-N
MW174.69 g/mol
LogP0.91
Rot. Bonds

About iron;methanol;tetrafluoroborate

iron;methanol;tetrafluoroborate (PubChem CID 175497481) has the molecular formula CH4BF4FeO- and a molecular weight of 174.69 g/mol. Its IUPAC name is iron;methanol;tetrafluoroborate.

Molecular Properties

Compound Nameiron;methanol;tetrafluoroborate
PubChem CID175497481
Molecular FormulaCH4BF4FeO-
Molecular Weight174.69 g/mol
Exact Mass174.96
IUPAC Nameiron;methanol;tetrafluoroborate
SMILESCO.F[B-](F)(F)F.[Fe]
InChIInChI=1S/CH4O.BF4.Fe/c1-2;2-1(3,4)5;/h2H,1H3;;/q;-1;
InChIKeyMMGLDODLRXMQEQ-UHFFFAOYSA-N
XLogP0.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.69
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;methanol;tetrafluoroborate?
The IUPAC name of iron;methanol;tetrafluoroborate (CID 175497481) is iron;methanol;tetrafluoroborate.
What is the SMILES notation for iron;methanol;tetrafluoroborate?
The canonical SMILES for iron;methanol;tetrafluoroborate is CO.F[B-](F)(F)F.[Fe].
What is the InChIKey of iron;methanol;tetrafluoroborate?
The InChIKey is MMGLDODLRXMQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.BF4.Fe/c1-2;2-1(3,4)5;/h2H,1H3;;/q;-1;.
What are the key properties of iron;methanol;tetrafluoroborate?
iron;methanol;tetrafluoroborate has a molecular weight of 174.69 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron;methanol;tetrafluoroborate is sourced from PubChem (CID 175497481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).