methyl formate tritetrafluoroborate

C2H4B3F12O2-3 — CID 173380187

IUPACmethyl formate tritetrafluoroborate
SMILESCOC=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C2H4O2.3BF4/c1-4-2-3;3*2-1(3,4)5/h2H,1H3;;;/q;3*-1
InChIKeyDMLANDMPXHOPOZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.69
Rot. Bonds1

About methyl formate tritetrafluoroborate

methyl formate tritetrafluoroborate (PubChem CID 173380187) has the molecular formula C2H4B3F12O2-3 and a molecular weight of 320.46 g/mol. Its IUPAC name is methyl formate tritetrafluoroborate.

Molecular Properties

Compound Namemethyl formate tritetrafluoroborate
PubChem CID173380187
Molecular FormulaC2H4B3F12O2-3
Molecular Weight320.46 g/mol
Exact Mass321.03
IUPAC Namemethyl formate tritetrafluoroborate
SMILESCOC=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C2H4O2.3BF4/c1-4-2-3;3*2-1(3,4)5/h2H,1H3;;;/q;3*-1
InChIKeyDMLANDMPXHOPOZ-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl formate tritetrafluoroborate?
The IUPAC name of methyl formate tritetrafluoroborate (CID 173380187) is methyl formate tritetrafluoroborate.
What is the SMILES notation for methyl formate tritetrafluoroborate?
The canonical SMILES for methyl formate tritetrafluoroborate is COC=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of methyl formate tritetrafluoroborate?
The InChIKey is DMLANDMPXHOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.3BF4/c1-4-2-3;3*2-1(3,4)5/h2H,1H3;;;/q;3*-1.
What are the key properties of methyl formate tritetrafluoroborate?
methyl formate tritetrafluoroborate has a molecular weight of 320.46 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate tritetrafluoroborate is sourced from PubChem (CID 173380187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).