potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide

C14H17BF3KO2 — CID 79900555

IUPACpotassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
SMILESF[B-](F)(F)c1cccc(OC2CCOC3(CCC3)C2)c1.[K+]
InChIInChI=1S/C14H17BF3O2.K/c16-15(17,18)11-3-1-4-12(9-11)20-13-5-8-19-14(10-13)6-2-7-14;/h1,3-4,9,13H,2,5-8,10H2;/q-1;+1
InChIKeyCTXGUGUQHKPZHQ-UHFFFAOYSA-N
MW324.19 g/mol
LogP0.23
Rot. Bonds3

About potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide

potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide (PubChem CID 79900555) has the molecular formula C14H17BF3KO2 and a molecular weight of 324.19 g/mol. Its IUPAC name is potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
PubChem CID79900555
Molecular FormulaC14H17BF3KO2
Molecular Weight324.19 g/mol
Exact Mass324.09
IUPAC Namepotassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
SMILESF[B-](F)(F)c1cccc(OC2CCOC3(CCC3)C2)c1.[K+]
InChIInChI=1S/C14H17BF3O2.K/c16-15(17,18)11-3-1-4-12(9-11)20-13-5-8-19-14(10-13)6-2-7-14;/h1,3-4,9,13H,2,5-8,10H2;/q-1;+1
InChIKeyCTXGUGUQHKPZHQ-UHFFFAOYSA-N
XLogP0.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 50.23
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

8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
potassium trifluoro-[5-methoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 113443480
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79905000
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190
6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
CID 79900430
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
4,4,5,5-tetramethyl-2-[3-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]-1,3,2-dioxaborolane
CID 113252337
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)benzonitrile
CID 79905653

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide (CID 79900555) is potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide is F[B-](F)(F)c1cccc(OC2CCOC3(CCC3)C2)c1.[K+].
What is the InChIKey of potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide?
The InChIKey is CTXGUGUQHKPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BF3O2.K/c16-15(17,18)11-3-1-4-12(9-11)20-13-5-8-19-14(10-13)6-2-7-14;/h1,3-4,9,13H,2,5-8,10H2;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide?
potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide has a molecular weight of 324.19 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide is sourced from PubChem (CID 79900555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).