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

C12H15BF3KO2 — CID 63676205

IUPACpotassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide
SMILESCc1ccc(OCC2CCCO2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C12H15BF3O2.K/c1-9-4-5-12(11(7-9)13(14,15)16)18-8-10-3-2-6-17-10;/h4-5,7,10H,2-3,6,8H2,1H3;/q-1;+1
InChIKeyLYSGQWJZSQHFBJ-UHFFFAOYSA-N
MW298.15 g/mol
LogP-0.39
Rot. Bonds4

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

potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide (PubChem CID 63676205) has the molecular formula C12H15BF3KO2 and a molecular weight of 298.15 g/mol. Its IUPAC name is potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide
PubChem CID63676205
Molecular FormulaC12H15BF3KO2
Molecular Weight298.15 g/mol
Exact Mass298.08
IUPAC Namepotassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide
SMILESCc1ccc(OCC2CCCO2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C12H15BF3O2.K/c1-9-4-5-12(11(7-9)13(14,15)16)18-8-10-3-2-6-17-10;/h4-5,7,10H,2-3,6,8H2,1H3;/q-1;+1
InChIKeyLYSGQWJZSQHFBJ-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
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

potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 63676225
5-methyl-2-(oxolan-2-ylmethoxy)benzenesulfinic acid
CID 165449244
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 106929979
5-methyl-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
CID 43591843
(E)-3-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 55200916
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63677667

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide (CID 63676205) is potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide is Cc1ccc(OCC2CCCO2)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide?
The InChIKey is LYSGQWJZSQHFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BF3O2.K/c1-9-4-5-12(11(7-9)13(14,15)16)18-8-10-3-2-6-17-10;/h4-5,7,10H,2-3,6,8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide?
potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide has a molecular weight of 298.15 g/mol, XLogP of -0.39, 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-2-ylmethoxy)phenyl]boranuide is sourced from PubChem (CID 63676205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).