potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide

C14H13BF3KO — CID 63677023

IUPACpotassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCCc1ccccc1.[K+]
InChIInChI=1S/C14H13BF3O.K/c16-15(17,18)13-8-4-5-9-14(13)19-11-10-12-6-2-1-3-7-12;/h1-9H,10-11H2;/q-1;+1
InChIKeyKNVVXCXHLGVLTO-UHFFFAOYSA-N
MW304.16 g/mol
LogP0.37
Rot. Bonds5

About potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide

potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide (PubChem CID 63677023) has the molecular formula C14H13BF3KO and a molecular weight of 304.16 g/mol. Its IUPAC name is potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
PubChem CID63677023
Molecular FormulaC14H13BF3KO
Molecular Weight304.16 g/mol
Exact Mass304.06
IUPAC Namepotassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCCc1ccccc1.[K+]
InChIInChI=1S/C14H13BF3O.K/c16-15(17,18)13-8-4-5-9-14(13)19-11-10-12-6-2-1-3-7-12;/h1-9H,10-11H2;/q-1;+1
InChIKeyKNVVXCXHLGVLTO-UHFFFAOYSA-N
XLogP0.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 50.37
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-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
potassium trifluoro-(2-octoxyphenyl)boranuide
CID 63676201
trifluoro-[2-(3-methoxypropoxy)phenyl]boranuide
CID 63676844
potassium trifluoro-[2-(4-methylpentoxy)phenyl]boranuide
CID 83158350
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
CID 106726730
trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
CID 55233972
[2-(2-phenylethoxy)phenyl] benzenesulfonate
CID 91312372
2-[2-(2-phenylethoxy)phenyl]pyridine
CID 102434679
2-chloro-3-(2-phenylethoxy)aniline
CID 140509914
potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677238

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide (CID 63677023) is potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide is F[B-](F)(F)c1ccccc1OCCc1ccccc1.[K+].
What is the InChIKey of potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide?
The InChIKey is KNVVXCXHLGVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O.K/c16-15(17,18)13-8-4-5-9-14(13)19-11-10-12-6-2-1-3-7-12;/h1-9H,10-11H2;/q-1;+1.
What are the key properties of potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide?
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide has a molecular weight of 304.16 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide is sourced from PubChem (CID 63677023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).