potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide

C14H12BF4KO — CID 63678321

IUPACpotassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
SMILESCc1ccc(OCc2ccc(F)cc2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H12BF4O.K/c1-10-2-7-14(13(8-10)15(17,18)19)20-9-11-3-5-12(16)6-4-11;/h2-8H,9H2,1H3;/q-1;+1
InChIKeyOVMOABKRJRETNX-UHFFFAOYSA-N
MW322.15 g/mol
LogP0.77
Rot. Bonds4

About potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide

potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide (PubChem CID 63678321) has the molecular formula C14H12BF4KO and a molecular weight of 322.15 g/mol. Its IUPAC name is potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
PubChem CID63678321
Molecular FormulaC14H12BF4KO
Molecular Weight322.15 g/mol
Exact Mass322.06
IUPAC Namepotassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
SMILESCc1ccc(OCc2ccc(F)cc2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H12BF4O.K/c1-10-2-7-14(13(8-10)15(17,18)19)20-9-11-3-5-12(16)6-4-11;/h2-8H,9H2,1H3;/q-1;+1
InChIKeyOVMOABKRJRETNX-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 50.77
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-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
CID 113233041
potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63676819
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 79263387
potassium trifluoro-[5-methyl-2-(3-methylbutoxy)phenyl]boranuide
CID 63676021
[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 65369939
3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one
CID 82051895
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobutanoic acid
CID 82051889
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
(E)-4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobut-2-enoic acid
CID 82051890
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 60801205

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide?
The IUPAC name of potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide (CID 63678321) is potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide is Cc1ccc(OCc2ccc(F)cc2)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide?
The InChIKey is OVMOABKRJRETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BF4O.K/c1-10-2-7-14(13(8-10)15(17,18)19)20-9-11-3-5-12(16)6-4-11;/h2-8H,9H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide?
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide has a molecular weight of 322.15 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide is sourced from PubChem (CID 63678321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).