dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate

C10H14BF4NO — CID 13074146

IUPACdimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate
SMILESC[N+](C)=COCc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H14NO.BF4/c1-11(2)9-12-8-10-6-4-3-5-7-10;2-1(3,4)5/h3-7,9H,8H2,1-2H3;/q+1;-1
InChIKeyIZKDBYYINPGEBS-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.80
Rot. Bonds3

About dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate

dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate (PubChem CID 13074146) has the molecular formula C10H14BF4NO and a molecular weight of 251.03 g/mol. Its IUPAC name is dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate.

Molecular Properties

Compound Namedimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate
PubChem CID13074146
Molecular FormulaC10H14BF4NO
Molecular Weight251.03 g/mol
Exact Mass251.11
IUPAC Namedimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate
SMILESC[N+](C)=COCc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H14NO.BF4/c1-11(2)9-12-8-10-6-4-3-5-7-10;2-1(3,4)5/h3-7,9H,8H2,1-2H3;/q+1;-1
InChIKeyIZKDBYYINPGEBS-UHFFFAOYSA-N
XLogP2.80
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.80
H-Bond Donors ≤ 50
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate?
The IUPAC name of dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate (CID 13074146) is dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate.
What is the SMILES notation for dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate?
The canonical SMILES for dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate is C[N+](C)=COCc1ccccc1.F[B-](F)(F)F.
What is the InChIKey of dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate?
The InChIKey is IZKDBYYINPGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO.BF4/c1-11(2)9-12-8-10-6-4-3-5-7-10;2-1(3,4)5/h3-7,9H,8H2,1-2H3;/q+1;-1.
What are the key properties of dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate?
dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate has a molecular weight of 251.03 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenylmethoxymethylidene)azanium tetrafluoroborate is sourced from PubChem (CID 13074146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).