bis(nitric acid);hydrate;hydrofluoride

H5FN2O7 — CID 174552935

IUPACbis(nitric acid);hydrate;hydrofluoride
SMILESF.O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/FH.2HNO3.H2O/c;2*2-1(3)4;/h1H;2*(H,2,3,4);1H2
InChIKeyVUVHKLHRRSFXHY-UHFFFAOYSA-N
MW164.04 g/mol
LogP-1.37
Rot. Bonds

About bis(nitric acid);hydrate;hydrofluoride

bis(nitric acid);hydrate;hydrofluoride (PubChem CID 174552935) has the molecular formula H5FN2O7 and a molecular weight of 164.04 g/mol. Its IUPAC name is bis(nitric acid);hydrate;hydrofluoride.

Molecular Properties

Compound Namebis(nitric acid);hydrate;hydrofluoride
PubChem CID174552935
Molecular FormulaH5FN2O7
Molecular Weight164.04 g/mol
Exact Mass164.01
IUPAC Namebis(nitric acid);hydrate;hydrofluoride
SMILESF.O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/FH.2HNO3.H2O/c;2*2-1(3)4;/h1H;2*(H,2,3,4);1H2
InChIKeyVUVHKLHRRSFXHY-UHFFFAOYSA-N
XLogP-1.37
TPSA158.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.04
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(nitric acid);hydrate;hydrofluoride?
The IUPAC name of bis(nitric acid);hydrate;hydrofluoride (CID 174552935) is bis(nitric acid);hydrate;hydrofluoride.
What is the SMILES notation for bis(nitric acid);hydrate;hydrofluoride?
The canonical SMILES for bis(nitric acid);hydrate;hydrofluoride is F.O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of bis(nitric acid);hydrate;hydrofluoride?
The InChIKey is VUVHKLHRRSFXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/FH.2HNO3.H2O/c;2*2-1(3)4;/h1H;2*(H,2,3,4);1H2.
What are the key properties of bis(nitric acid);hydrate;hydrofluoride?
bis(nitric acid);hydrate;hydrofluoride has a molecular weight of 164.04 g/mol, XLogP of -1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nitric acid);hydrate;hydrofluoride is sourced from PubChem (CID 174552935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).