sodium;acetic acid;fluoro(dioxido)borane

C2H4BFNaO4- — CID 19830556

IUPACsodium;acetic acid;fluoro(dioxido)borane
SMILESCC(=O)O.[Na+].[O-]B([O-])F
InChIInChI=1S/C2H4O2.BFO2.Na/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);;/q;-2;+1
InChIKeyFLYAXPGYGMLEOU-UHFFFAOYSA-N
MW144.85 g/mol
LogP-5.24
Rot. Bonds

About sodium;acetic acid;fluoro(dioxido)borane

sodium;acetic acid;fluoro(dioxido)borane (PubChem CID 19830556) has the molecular formula C2H4BFNaO4- and a molecular weight of 144.85 g/mol. Its IUPAC name is sodium;acetic acid;fluoro(dioxido)borane.

Molecular Properties

Compound Namesodium;acetic acid;fluoro(dioxido)borane
PubChem CID19830556
Molecular FormulaC2H4BFNaO4-
Molecular Weight144.85 g/mol
Exact Mass145.01
IUPAC Namesodium;acetic acid;fluoro(dioxido)borane
SMILESCC(=O)O.[Na+].[O-]B([O-])F
InChIInChI=1S/C2H4O2.BFO2.Na/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);;/q;-2;+1
InChIKeyFLYAXPGYGMLEOU-UHFFFAOYSA-N
XLogP-5.24
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.85
LogP ≤ 5-5.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecasodium;acetic acid;tetraborate
CID 157209922
disodium;acetic acid;diacetate
CID 173429672
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
trisodium;acetic acid;hydride
CID 172996834
sodium;acetic acid;boranuide
CID 131724855
CID 173007307
CID 173007307
tricosasodium;acetic acid;hydride
CID 173423110
sodium;acetic acid;carbanide
CID 158665006
sodium;acetic acid;azanide
CID 172855434
acetic acid
CID 158444727
disodium;acetic acid;diacetate;dihydrate
CID 157440241

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;fluoro(dioxido)borane?
The IUPAC name of sodium;acetic acid;fluoro(dioxido)borane (CID 19830556) is sodium;acetic acid;fluoro(dioxido)borane.
What is the SMILES notation for sodium;acetic acid;fluoro(dioxido)borane?
The canonical SMILES for sodium;acetic acid;fluoro(dioxido)borane is CC(=O)O.[Na+].[O-]B([O-])F.
What is the InChIKey of sodium;acetic acid;fluoro(dioxido)borane?
The InChIKey is FLYAXPGYGMLEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.BFO2.Na/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);;/q;-2;+1.
What are the key properties of sodium;acetic acid;fluoro(dioxido)borane?
sodium;acetic acid;fluoro(dioxido)borane has a molecular weight of 144.85 g/mol, XLogP of -5.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;fluoro(dioxido)borane is sourced from PubChem (CID 19830556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).