potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide

C14H13BF3KO2 — CID 63678299

IUPACpotassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
SMILESCOc1cccc(COc2cccc([B-](F)(F)F)c2)c1.[K+]
InChIInChI=1S/C14H13BF3O2.K/c1-19-13-6-2-4-11(8-13)10-20-14-7-3-5-12(9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyQJQIDCQVCXQIMG-UHFFFAOYSA-N
MW320.16 g/mol
LogP0.33
Rot. Bonds5

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

potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide (PubChem CID 63678299) has the molecular formula C14H13BF3KO2 and a molecular weight of 320.16 g/mol. Its IUPAC name is potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
PubChem CID63678299
Molecular FormulaC14H13BF3KO2
Molecular Weight320.16 g/mol
Exact Mass320.06
IUPAC Namepotassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
SMILESCOc1cccc(COc2cccc([B-](F)(F)F)c2)c1.[K+]
InChIInChI=1S/C14H13BF3O2.K/c1-19-13-6-2-4-11(8-13)10-20-14-7-3-5-12(9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyQJQIDCQVCXQIMG-UHFFFAOYSA-N
XLogP0.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[3-[(3-methoxyphenyl)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 [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide (CID 63678299) is potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide is COc1cccc(COc2cccc([B-](F)(F)F)c2)c1.[K+].
What is the InChIKey of potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide?
The InChIKey is QJQIDCQVCXQIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O2.K/c1-19-13-6-2-4-11(8-13)10-20-14-7-3-5-12(9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide?
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide has a molecular weight of 320.16 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 63678299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).