potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide

C13H18BF3KNO — CID 64738992

IUPACpotassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide
SMILESCC1CCC(Oc2cncc([B-](F)(F)F)c2)CC1C.[K+]
InChIInChI=1S/C13H18BF3NO.K/c1-9-3-4-12(5-10(9)2)19-13-6-11(7-18-8-13)14(15,16)17;/h6-10,12H,3-5H2,1-2H3;/q-1;+1
InChIKeyFYUYNKZZJSOTCE-UHFFFAOYSA-N
MW311.20 g/mol
LogP0.34
Rot. Bonds3

About potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide

potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide (PubChem CID 64738992) has the molecular formula C13H18BF3KNO and a molecular weight of 311.20 g/mol. Its IUPAC name is potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide
PubChem CID64738992
Molecular FormulaC13H18BF3KNO
Molecular Weight311.20 g/mol
Exact Mass311.11
IUPAC Namepotassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide
SMILESCC1CCC(Oc2cncc([B-](F)(F)F)c2)CC1C.[K+]
InChIInChI=1S/C13H18BF3NO.K/c1-9-3-4-12(5-10(9)2)19-13-6-11(7-18-8-13)14(15,16)17;/h6-10,12H,3-5H2,1-2H3;/q-1;+1
InChIKeyFYUYNKZZJSOTCE-UHFFFAOYSA-N
XLogP0.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide?
The IUPAC name of potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide (CID 64738992) is potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide.
What is the SMILES notation for potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide?
The canonical SMILES for potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide is CC1CCC(Oc2cncc([B-](F)(F)F)c2)CC1C.[K+].
What is the InChIKey of potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide?
The InChIKey is FYUYNKZZJSOTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BF3NO.K/c1-9-3-4-12(5-10(9)2)19-13-6-11(7-18-8-13)14(15,16)17;/h6-10,12H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide?
potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide has a molecular weight of 311.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [5-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]-trifluoroboranuide is sourced from PubChem (CID 64738992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).