guanidine tetrafluoroborate

CH5BF4N3- — CID 88674599

IUPACguanidine tetrafluoroborate
SMILESF[B-](F)(F)F.[H]N=C(N)N
InChIInChI=1S/CH5N3.BF4/c2-1(3)4;2-1(3,4)5/h(H5,2,3,4);/q;-1
InChIKeyMYVCAAMXUZXMLG-UHFFFAOYSA-N
MW145.88 g/mol
LogP0.14
Rot. Bonds

About guanidine tetrafluoroborate

guanidine tetrafluoroborate (PubChem CID 88674599) has the molecular formula CH5BF4N3- and a molecular weight of 145.88 g/mol. Its IUPAC name is guanidine tetrafluoroborate.

Molecular Properties

Compound Nameguanidine tetrafluoroborate
PubChem CID88674599
Molecular FormulaCH5BF4N3-
Molecular Weight145.88 g/mol
Exact Mass146.05
IUPAC Nameguanidine tetrafluoroborate
SMILESF[B-](F)(F)F.[H]N=C(N)N
InChIInChI=1S/CH5N3.BF4/c2-1(3)4;2-1(3,4)5/h(H5,2,3,4);/q;-1
InChIKeyMYVCAAMXUZXMLG-UHFFFAOYSA-N
XLogP0.14
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.88
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of guanidine tetrafluoroborate?
The IUPAC name of guanidine tetrafluoroborate (CID 88674599) is guanidine tetrafluoroborate.
What is the SMILES notation for guanidine tetrafluoroborate?
The canonical SMILES for guanidine tetrafluoroborate is F[B-](F)(F)F.[H]N=C(N)N.
What is the InChIKey of guanidine tetrafluoroborate?
The InChIKey is MYVCAAMXUZXMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.BF4/c2-1(3)4;2-1(3,4)5/h(H5,2,3,4);/q;-1.
What are the key properties of guanidine tetrafluoroborate?
guanidine tetrafluoroborate has a molecular weight of 145.88 g/mol, XLogP of 0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine tetrafluoroborate is sourced from PubChem (CID 88674599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).