potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide

C14H13BF3KO — CID 63676819

IUPACpotassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1cccc(COc2ccccc2[B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H13BF3O.K/c1-11-5-4-6-12(9-11)10-19-14-8-3-2-7-13(14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyVUNZNTIUMOVFGK-UHFFFAOYSA-N
MW304.16 g/mol
LogP0.63
Rot. Bonds4

About potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide

potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide (PubChem CID 63676819) has the molecular formula C14H13BF3KO and a molecular weight of 304.16 g/mol. Its IUPAC name is potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
PubChem CID63676819
Molecular FormulaC14H13BF3KO
Molecular Weight304.16 g/mol
Exact Mass304.06
IUPAC Namepotassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1cccc(COc2ccccc2[B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H13BF3O.K/c1-11-5-4-6-12(9-11)10-19-14-8-3-2-7-13(14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyVUNZNTIUMOVFGK-UHFFFAOYSA-N
XLogP0.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[2-[(3-methylphenyl)methoxy]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-[4-fluoro-3-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 114675053
trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63677902
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
trifluoro-[2-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 63677237
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
potassium [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677224
5-methyl-2-[(3-methylphenyl)methoxy]phenol
CID 82051938
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide (CID 63676819) is potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide is Cc1cccc(COc2ccccc2[B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide?
The InChIKey is VUNZNTIUMOVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O.K/c1-11-5-4-6-12(9-11)10-19-14-8-3-2-7-13(14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide?
potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide has a molecular weight of 304.16 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 63676819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).