potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide

C14H13BF3KO — CID 63678267

IUPACpotassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1ccc(COc2cccc([B-](F)(F)F)c2)cc1.[K+]
InChIInChI=1S/C14H13BF3O.K/c1-11-5-7-12(8-6-11)10-19-14-4-2-3-13(9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyHENDVTVWLIEVGX-UHFFFAOYSA-N
MW304.16 g/mol
LogP0.63
Rot. Bonds4

About potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide

potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide (PubChem CID 63678267) has the molecular formula C14H13BF3KO and a molecular weight of 304.16 g/mol. Its IUPAC name is potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
PubChem CID63678267
Molecular FormulaC14H13BF3KO
Molecular Weight304.16 g/mol
Exact Mass304.06
IUPAC Namepotassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1ccc(COc2cccc([B-](F)(F)F)c2)cc1.[K+]
InChIInChI=1S/C14H13BF3O.K/c1-11-5-7-12(8-6-11)10-19-14-4-2-3-13(9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyHENDVTVWLIEVGX-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'}

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Related Compounds

trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678280
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 65202804
potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982175
trifluoro-[4-(phenoxymethyl)phenyl]boranuide
CID 140775679
potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
[3-[(4-methylphenyl)methoxy]phenyl]hydrazine
CID 82081357

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide (CID 63678267) is potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide is Cc1ccc(COc2cccc([B-](F)(F)F)c2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide?
The InChIKey is HENDVTVWLIEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O.K/c1-11-5-7-12(8-6-11)10-19-14-4-2-3-13(9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide?
potassium trifluoro-[3-[(4-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-[3-[(4-methylphenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 63678267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).