potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide

C9H11BF3KO — CID 63677238

IUPACpotassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C9H11BF3O.K/c1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;/h3-7H,1-2H3;/q-1;+1
InChIKeyBQNOMKRPRGCDFR-UHFFFAOYSA-N
MW242.09 g/mol
LogP-0.47
Rot. Bonds3

About potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide

potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide (PubChem CID 63677238) has the molecular formula C9H11BF3KO and a molecular weight of 242.09 g/mol. Its IUPAC name is potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
PubChem CID63677238
Molecular FormulaC9H11BF3KO
Molecular Weight242.09 g/mol
Exact Mass242.05
IUPAC Namepotassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C9H11BF3O.K/c1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;/h3-7H,1-2H3;/q-1;+1
InChIKeyBQNOMKRPRGCDFR-UHFFFAOYSA-N
XLogP-0.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 5-0.47
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-(2-propan-2-yloxyphenyl)boranuide
CID 63677239
potassium trifluoro-[2-(4-methylpentoxy)phenyl]boranuide
CID 83158350
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
potassium trifluoro-(2-octoxyphenyl)boranuide
CID 63676201
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide (CID 63677238) is potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide is CC(C)Oc1ccccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide?
The InChIKey is BQNOMKRPRGCDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O.K/c1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;/h3-7H,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide?
potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide has a molecular weight of 242.09 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide is sourced from PubChem (CID 63677238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).