potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide

C12H15BF3KN2 — CID 106746087

IUPACpotassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCN(C)c2ccccc21)[B-](F)(F)F.[K+]
InChIInChI=1S/C12H15BF3N2.K/c1-10(13(14,15)16)9-18-8-7-17(2)11-5-3-4-6-12(11)18;/h3-6H,1,7-9H2,2H3;/q-1;+1
InChIKeyNSAXOZZGDRBAIO-UHFFFAOYSA-N
MW294.17 g/mol
LogP-0.11
Rot. Bonds3

About potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746087) has the molecular formula C12H15BF3KN2 and a molecular weight of 294.17 g/mol. Its IUPAC name is potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746087
Molecular FormulaC12H15BF3KN2
Molecular Weight294.17 g/mol
Exact Mass294.09
IUPAC Namepotassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCN(C)c2ccccc21)[B-](F)(F)F.[K+]
InChIInChI=1S/C12H15BF3N2.K/c1-10(13(14,15)16)9-18-8-7-17(2)11-5-3-4-6-12(11)18;/h3-6H,1,7-9H2,2H3;/q-1;+1
InChIKeyNSAXOZZGDRBAIO-UHFFFAOYSA-N
XLogP-0.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide (CID 106746087) is potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCN(C)c2ccccc21)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is NSAXOZZGDRBAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BF3N2.K/c1-10(13(14,15)16)9-18-8-7-17(2)11-5-3-4-6-12(11)18;/h3-6H,1,7-9H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 294.17 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).