disodium;boric acid;dihydrogen borate;fluoride

H11B4FNa2O12 — CID 174533853

IUPACdisodium;boric acid;dihydrogen borate;fluoride
SMILESOB(O)O.OB(O)O.OB(O)O.[F-].[Na+].[Na+].[O-]B(O)O
InChIInChI=1S/3BH3O3.BH2O3.FH.2Na/c4*2-1(3)4;;;/h3*2-4H;2-3H;1H;;/q;;;-1;;2*+1/p-1
InChIKeyBQKISSNVPBOLRH-UHFFFAOYSA-M
MW311.30 g/mol
LogP-17.83
Rot. Bonds

About disodium;boric acid;dihydrogen borate;fluoride

disodium;boric acid;dihydrogen borate;fluoride (PubChem CID 174533853) has the molecular formula H11B4FNa2O12 and a molecular weight of 311.30 g/mol. Its IUPAC name is disodium;boric acid;dihydrogen borate;fluoride.

Molecular Properties

Compound Namedisodium;boric acid;dihydrogen borate;fluoride
PubChem CID174533853
Molecular FormulaH11B4FNa2O12
Molecular Weight311.30 g/mol
Exact Mass312.04
IUPAC Namedisodium;boric acid;dihydrogen borate;fluoride
SMILESOB(O)O.OB(O)O.OB(O)O.[F-].[Na+].[Na+].[O-]B(O)O
InChIInChI=1S/3BH3O3.BH2O3.FH.2Na/c4*2-1(3)4;;;/h3*2-4H;2-3H;1H;;/q;;;-1;;2*+1/p-1
InChIKeyBQKISSNVPBOLRH-UHFFFAOYSA-M
XLogP-17.83
TPSA245.59 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500311.30
LogP ≤ 5-17.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of disodium;boric acid;dihydrogen borate;fluoride?
The IUPAC name of disodium;boric acid;dihydrogen borate;fluoride (CID 174533853) is disodium;boric acid;dihydrogen borate;fluoride.
What is the SMILES notation for disodium;boric acid;dihydrogen borate;fluoride?
The canonical SMILES for disodium;boric acid;dihydrogen borate;fluoride is OB(O)O.OB(O)O.OB(O)O.[F-].[Na+].[Na+].[O-]B(O)O.
What is the InChIKey of disodium;boric acid;dihydrogen borate;fluoride?
The InChIKey is BQKISSNVPBOLRH-UHFFFAOYSA-M. The full InChI is InChI=1S/3BH3O3.BH2O3.FH.2Na/c4*2-1(3)4;;;/h3*2-4H;2-3H;1H;;/q;;;-1;;2*+1/p-1.
What are the key properties of disodium;boric acid;dihydrogen borate;fluoride?
disodium;boric acid;dihydrogen borate;fluoride has a molecular weight of 311.30 g/mol, XLogP of -17.83, 0 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;boric acid;dihydrogen borate;fluoride is sourced from PubChem (CID 174533853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).