potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide

C13H12BF3KNO — CID 106746695

IUPACpotassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide
SMILESC=C(COc1cccc2ccc(C)nc12)[B-](F)(F)F.[K+]
InChIInChI=1S/C13H12BF3NO.K/c1-9(14(15,16)17)8-19-12-5-3-4-11-7-6-10(2)18-13(11)12;/h3-7H,1,8H2,2H3;/q-1;+1
InChIKeyAVWDBIBETVGLBL-UHFFFAOYSA-N
MW305.15 g/mol
LogP0.87
Rot. Bonds4

About potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide

potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide (PubChem CID 106746695) has the molecular formula C13H12BF3KNO and a molecular weight of 305.15 g/mol. Its IUPAC name is potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide
PubChem CID106746695
Molecular FormulaC13H12BF3KNO
Molecular Weight305.15 g/mol
Exact Mass305.06
IUPAC Namepotassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide
SMILESC=C(COc1cccc2ccc(C)nc12)[B-](F)(F)F.[K+]
InChIInChI=1S/C13H12BF3NO.K/c1-9(14(15,16)17)8-19-12-5-3-4-11-7-6-10(2)18-13(11)12;/h3-7H,1,8H2,2H3;/q-1;+1
InChIKeyAVWDBIBETVGLBL-UHFFFAOYSA-N
XLogP0.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 50.87
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-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide (CID 106746695) is potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide is C=C(COc1cccc2ccc(C)nc12)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide?
The InChIKey is AVWDBIBETVGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BF3NO.K/c1-9(14(15,16)17)8-19-12-5-3-4-11-7-6-10(2)18-13(11)12;/h3-7H,1,8H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide has a molecular weight of 305.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).