potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide

C12H15BF3KO2 — CID 63676225

IUPACpotassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
SMILESCc1ccc(OCC2CCOC2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C12H15BF3O2.K/c1-9-2-3-12(11(6-9)13(14,15)16)18-8-10-4-5-17-7-10;/h2-3,6,10H,4-5,7-8H2,1H3;/q-1;+1
InChIKeyILHRZKJJTXVDJV-UHFFFAOYSA-N
MW298.15 g/mol
LogP-0.53
Rot. Bonds4

About potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide

potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide (PubChem CID 63676225) has the molecular formula C12H15BF3KO2 and a molecular weight of 298.15 g/mol. Its IUPAC name is potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
PubChem CID63676225
Molecular FormulaC12H15BF3KO2
Molecular Weight298.15 g/mol
Exact Mass298.08
IUPAC Namepotassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
SMILESCc1ccc(OCC2CCOC2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C12H15BF3O2.K/c1-9-2-3-12(11(6-9)13(14,15)16)18-8-10-4-5-17-7-10;/h2-3,6,10H,4-5,7-8H2,1H3;/q-1;+1
InChIKeyILHRZKJJTXVDJV-UHFFFAOYSA-N
XLogP-0.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676205
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
trifluoro-[2-methyl-4-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 83134930
[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 106929979
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 63639940
3-[(2,4-dimethylphenoxy)methyl]oxetane
CID 116820131
5-methyl-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 107929588
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 63676214

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide (CID 63676225) is potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide is Cc1ccc(OCC2CCOC2)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide?
The InChIKey is ILHRZKJJTXVDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BF3O2.K/c1-9-2-3-12(11(6-9)13(14,15)16)18-8-10-4-5-17-7-10;/h2-3,6,10H,4-5,7-8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide?
potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide has a molecular weight of 298.15 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide is sourced from PubChem (CID 63676225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).