potassium trifluoro(2-phenylpropanoyl)boranuide

C9H9BF3KO — CID 154711234

IUPACpotassium trifluoro(2-phenylpropanoyl)boranuide
SMILESCC(C(=O)[B-](F)(F)F)c1ccccc1.[K+]
InChIInChI=1S/C9H9BF3O.K/c1-7(9(14)10(11,12)13)8-5-3-2-4-6-8;/h2-7H,1H3;/q-1;+1
InChIKeyRHUYKQBNMTVUSH-UHFFFAOYSA-N
MW240.07 g/mol
LogP-0.25
Rot. Bonds3

About potassium trifluoro(2-phenylpropanoyl)boranuide

potassium trifluoro(2-phenylpropanoyl)boranuide (PubChem CID 154711234) has the molecular formula C9H9BF3KO and a molecular weight of 240.07 g/mol. Its IUPAC name is potassium trifluoro(2-phenylpropanoyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(2-phenylpropanoyl)boranuide
PubChem CID154711234
Molecular FormulaC9H9BF3KO
Molecular Weight240.07 g/mol
Exact Mass240.03
IUPAC Namepotassium trifluoro(2-phenylpropanoyl)boranuide
SMILESCC(C(=O)[B-](F)(F)F)c1ccccc1.[K+]
InChIInChI=1S/C9H9BF3O.K/c1-7(9(14)10(11,12)13)8-5-3-2-4-6-8;/h2-7H,1H3;/q-1;+1
InChIKeyRHUYKQBNMTVUSH-UHFFFAOYSA-N
XLogP-0.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
azanium 2-phenylpropanoate
CID 146635852
cesium 2-phenylpropanoate
CID 23721405
2,2,2-trifluoroethyl (2S)-2-phenylpropanoate
CID 100921742
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
3-fluorobut-3-en-2-ylbenzene
CID 54351405
1-diazo-3-phenylbutan-2-one
CID 57285931

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(2-phenylpropanoyl)boranuide?
The IUPAC name of potassium trifluoro(2-phenylpropanoyl)boranuide (CID 154711234) is potassium trifluoro(2-phenylpropanoyl)boranuide.
What is the SMILES notation for potassium trifluoro(2-phenylpropanoyl)boranuide?
The canonical SMILES for potassium trifluoro(2-phenylpropanoyl)boranuide is CC(C(=O)[B-](F)(F)F)c1ccccc1.[K+].
What is the InChIKey of potassium trifluoro(2-phenylpropanoyl)boranuide?
The InChIKey is RHUYKQBNMTVUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BF3O.K/c1-7(9(14)10(11,12)13)8-5-3-2-4-6-8;/h2-7H,1H3;/q-1;+1.
What are the key properties of potassium trifluoro(2-phenylpropanoyl)boranuide?
potassium trifluoro(2-phenylpropanoyl)boranuide has a molecular weight of 240.07 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(2-phenylpropanoyl)boranuide is sourced from PubChem (CID 154711234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).