potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane

C10H13BF3K — CID 175186058

IUPACpotassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane
SMILESFB(F)F.[CH2-]c1c(C)cc(C)cc1C.[K+]
InChIInChI=1S/C10H13.BF3.K/c1-7-5-8(2)10(4)9(3)6-7;2-1(3)4;/h5-6H,4H2,1-3H3;;/q-1;;+1
InChIKeyGUAUDNXTUJYHRC-UHFFFAOYSA-N
MW240.12 g/mol
LogP0.68
Rot. Bonds

About potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane

potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane (PubChem CID 175186058) has the molecular formula C10H13BF3K and a molecular weight of 240.12 g/mol. Its IUPAC name is potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane.

Molecular Properties

Compound Namepotassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane
PubChem CID175186058
Molecular FormulaC10H13BF3K
Molecular Weight240.12 g/mol
Exact Mass240.07
IUPAC Namepotassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane
SMILESFB(F)F.[CH2-]c1c(C)cc(C)cc1C.[K+]
InChIInChI=1S/C10H13.BF3.K/c1-7-5-8(2)10(4)9(3)6-7;2-1(3)4;/h5-6H,4H2,1-3H3;;/q-1;;+1
InChIKeyGUAUDNXTUJYHRC-UHFFFAOYSA-N
XLogP0.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane?
The IUPAC name of potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane (CID 175186058) is potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane.
What is the SMILES notation for potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane?
The canonical SMILES for potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane is FB(F)F.[CH2-]c1c(C)cc(C)cc1C.[K+].
What is the InChIKey of potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane?
The InChIKey is GUAUDNXTUJYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.BF3.K/c1-7-5-8(2)10(4)9(3)6-7;2-1(3)4;/h5-6H,4H2,1-3H3;;/q-1;;+1.
What are the key properties of potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane?
potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane has a molecular weight of 240.12 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane is sourced from PubChem (CID 175186058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).