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

C11H13BF3KO2 — CID 63676632

IUPACpotassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCC1CCCO1.[K+]
InChIInChI=1S/C11H13BF3O2.K/c13-12(14,15)10-5-1-2-6-11(10)17-8-9-4-3-7-16-9;/h1-2,5-6,9H,3-4,7-8H2;/q-1;+1
InChIKeyOCFZSBSUWHIXEG-UHFFFAOYSA-N
MW284.13 g/mol
LogP-0.70
Rot. Bonds4

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

potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide (PubChem CID 63676632) has the molecular formula C11H13BF3KO2 and a molecular weight of 284.13 g/mol. Its IUPAC name is potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
PubChem CID63676632
Molecular FormulaC11H13BF3KO2
Molecular Weight284.13 g/mol
Exact Mass284.06
IUPAC Namepotassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCC1CCCO1.[K+]
InChIInChI=1S/C11H13BF3O2.K/c13-12(14,15)10-5-1-2-6-11(10)17-8-9-4-3-7-16-9;/h1-2,5-6,9H,3-4,7-8H2;/q-1;+1
InChIKeyOCFZSBSUWHIXEG-UHFFFAOYSA-N
XLogP-0.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 5-0.70
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-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676205
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63677667
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 55023414
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide (CID 63676632) is potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide is F[B-](F)(F)c1ccccc1OCC1CCCO1.[K+].
What is the InChIKey of potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide?
The InChIKey is OCFZSBSUWHIXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BF3O2.K/c13-12(14,15)10-5-1-2-6-11(10)17-8-9-4-3-7-16-9;/h1-2,5-6,9H,3-4,7-8H2;/q-1;+1.
What are the key properties of potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide?
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide has a molecular weight of 284.13 g/mol, XLogP of -0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide is sourced from PubChem (CID 63676632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).