potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide

C16H16BF4KO — CID 113233041

IUPACpotassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
SMILESCC(C)c1ccc(COc2ccc(F)cc2[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C16H16BF4O.K/c1-11(2)13-5-3-12(4-6-13)10-22-16-8-7-14(18)9-15(16)17(19,20)21;/h3-9,11H,10H2,1-2H3;/q-1;+1
InChIKeySMUMDAHWGKKGHO-UHFFFAOYSA-N
MW350.21 g/mol
LogP1.59
Rot. Bonds5

About potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide

potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide (PubChem CID 113233041) has the molecular formula C16H16BF4KO and a molecular weight of 350.21 g/mol. Its IUPAC name is potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
PubChem CID113233041
Molecular FormulaC16H16BF4KO
Molecular Weight350.21 g/mol
Exact Mass350.09
IUPAC Namepotassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
SMILESCC(C)c1ccc(COc2ccc(F)cc2[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C16H16BF4O.K/c1-11(2)13-5-3-12(4-6-13)10-22-16-8-7-14(18)9-15(16)17(19,20)21;/h3-9,11H,10H2,1-2H3;/q-1;+1
InChIKeySMUMDAHWGKKGHO-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 51.59
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

potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
4-bromo-1-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 114672595
potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
CID 114472982
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63704334
potassium trifluoro-[5-fluoro-2-(2-methylidenebutoxy)phenyl]boranuide
CID 66044783
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide (CID 113233041) is potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide is CC(C)c1ccc(COc2ccc(F)cc2[B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide?
The InChIKey is SMUMDAHWGKKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BF4O.K/c1-11(2)13-5-3-12(4-6-13)10-22-16-8-7-14(18)9-15(16)17(19,20)21;/h3-9,11H,10H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide?
potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide has a molecular weight of 350.21 g/mol, XLogP of 1.59, 5 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-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 113233041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).