potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide

C10H7BF3KO2 — CID 135084353

IUPACpotassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide
SMILESCOc1ccccc1C(=O)C#C[B-](F)(F)F.[K+]
InChIInChI=1S/C10H7BF3O2.K/c1-16-10-5-3-2-4-8(10)9(15)6-7-11(12,13)14;/h2-5H,1H3;/q-1;+1
InChIKeyILERREZWXXEEJB-UHFFFAOYSA-N
MW266.07 g/mol
LogP-0.73
Rot. Bonds2

About potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide

potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide (PubChem CID 135084353) has the molecular formula C10H7BF3KO2 and a molecular weight of 266.07 g/mol. Its IUPAC name is potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide
PubChem CID135084353
Molecular FormulaC10H7BF3KO2
Molecular Weight266.07 g/mol
Exact Mass266.01
IUPAC Namepotassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide
SMILESCOc1ccccc1C(=O)C#C[B-](F)(F)F.[K+]
InChIInChI=1S/C10H7BF3O2.K/c1-16-10-5-3-2-4-8(10)9(15)6-7-11(12,13)14;/h2-5H,1H3;/q-1;+1
InChIKeyILERREZWXXEEJB-UHFFFAOYSA-N
XLogP-0.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
CID 135043978
CID 135043978
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-methoxybenzoyl iodide
CID 139677083
3-(4-butoxyphenyl)-1-(2-methoxyphenyl)prop-2-yn-1-one
CID 154710100
1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
CID 11673282
methyl 2-(2-methoxyphenyl)buta-2,3-dienoate
CID 102231144
2-methoxybenzoate;hydrochloride
CID 18793456
ethane;methyl 2-methoxybenzoate
CID 178037044
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
2,2-dibromo-3-(2-methoxyphenyl)-3-oxopropanenitrile
CID 23039923
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide?
The IUPAC name of potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide (CID 135084353) is potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide is COc1ccccc1C(=O)C#C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide?
The InChIKey is ILERREZWXXEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BF3O2.K/c1-16-10-5-3-2-4-8(10)9(15)6-7-11(12,13)14;/h2-5H,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide?
potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide has a molecular weight of 266.07 g/mol, XLogP of -0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide is sourced from PubChem (CID 135084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).