potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide

C15H14BF4KO — CID 113233035

IUPACpotassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
SMILESFc1ccc(OCCCc2ccccc2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C15H14BF4O.K/c17-13-8-9-15(14(11-13)16(18,19)20)21-10-4-7-12-5-2-1-3-6-12;/h1-3,5-6,8-9,11H,4,7,10H2;/q-1;+1
InChIKeyUZEXFRPKRHKCEM-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.90
Rot. Bonds6

About potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide

potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide (PubChem CID 113233035) has the molecular formula C15H14BF4KO and a molecular weight of 336.18 g/mol. Its IUPAC name is potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
PubChem CID113233035
Molecular FormulaC15H14BF4KO
Molecular Weight336.18 g/mol
Exact Mass336.07
IUPAC Namepotassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
SMILESFc1ccc(OCCCc2ccccc2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C15H14BF4O.K/c17-13-8-9-15(14(11-13)16(18,19)20)21-10-4-7-12-5-2-1-3-6-12;/h1-3,5-6,8-9,11H,4,7,10H2;/q-1;+1
InChIKeyUZEXFRPKRHKCEM-UHFFFAOYSA-N
XLogP0.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]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

potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
potassium trifluoro-[5-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514504
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
CID 114472982
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249391
3-fluoro-4-(3-phenylpropoxy)aniline
CID 26190137
trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63704334
1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
CID 107695266
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide (CID 113233035) is potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide is Fc1ccc(OCCCc2ccccc2)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide?
The InChIKey is UZEXFRPKRHKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BF4O.K/c17-13-8-9-15(14(11-13)16(18,19)20)21-10-4-7-12-5-2-1-3-6-12;/h1-3,5-6,8-9,11H,4,7,10H2;/q-1;+1.
What are the key properties of potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide?
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide has a molecular weight of 336.18 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide is sourced from PubChem (CID 113233035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).