potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide

C10H11BF3KO — CID 25215129

IUPACpotassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide
SMILESCC(C[B-](F)(F)F)C(=O)c1ccccc1.[K+]
InChIInChI=1S/C10H11BF3O.K/c1-8(7-11(12,13)14)10(15)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3;/q-1;+1
InChIKeyYFVMHSYMVBCSJV-UHFFFAOYSA-N
MW254.10 g/mol
LogP0.36
Rot. Bonds4

About potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide

potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide (PubChem CID 25215129) has the molecular formula C10H11BF3KO and a molecular weight of 254.10 g/mol. Its IUPAC name is potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide
PubChem CID25215129
Molecular FormulaC10H11BF3KO
Molecular Weight254.10 g/mol
Exact Mass254.05
IUPAC Namepotassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide
SMILESCC(C[B-](F)(F)F)C(=O)c1ccccc1.[K+]
InChIInChI=1S/C10H11BF3O.K/c1-8(7-11(12,13)14)10(15)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3;/q-1;+1
InChIKeyYFVMHSYMVBCSJV-UHFFFAOYSA-N
XLogP0.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one
CID 54076054
5-hydroxy-2-methyl-1-phenylpentan-1-one
CID 67106278
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
2-methyl-3-[methyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 62611631
3-anilino-2-methyl-1-phenylpropan-1-one
CID 13467340
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
3-(methylamino)-4-oxo-4-phenylbutanoic acid
CID 82322276
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
2-methyl-1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-one
CID 176897876

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide?
The IUPAC name of potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide (CID 25215129) is potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide.
What is the SMILES notation for potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide?
The canonical SMILES for potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide is CC(C[B-](F)(F)F)C(=O)c1ccccc1.[K+].
What is the InChIKey of potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide?
The InChIKey is YFVMHSYMVBCSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF3O.K/c1-8(7-11(12,13)14)10(15)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide?
potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide has a molecular weight of 254.10 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide is sourced from PubChem (CID 25215129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).