potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide

C15H21BF3KO — CID 83137073

IUPACpotassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide
SMILESCc1cc(OC2CCC(C)C(C)C2)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C15H21BF3O.K/c1-10-4-5-13(8-11(10)2)20-14-6-7-15(12(3)9-14)16(17,18)19;/h6-7,9-11,13H,4-5,8H2,1-3H3;/q-1;+1
InChIKeyKLVLPTSXYNENFM-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.26
Rot. Bonds3

About potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide

potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide (PubChem CID 83137073) has the molecular formula C15H21BF3KO and a molecular weight of 324.24 g/mol. Its IUPAC name is potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide
PubChem CID83137073
Molecular FormulaC15H21BF3KO
Molecular Weight324.24 g/mol
Exact Mass324.13
IUPAC Namepotassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide
SMILESCc1cc(OC2CCC(C)C(C)C2)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C15H21BF3O.K/c1-10-4-5-13(8-11(10)2)20-14-6-7-15(12(3)9-14)16(17,18)19;/h6-7,9-11,13H,4-5,8H2,1-3H3;/q-1;+1
InChIKeyKLVLPTSXYNENFM-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide (CID 83137073) is potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide is Cc1cc(OC2CCC(C)C(C)C2)ccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide?
The InChIKey is KLVLPTSXYNENFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BF3O.K/c1-10-4-5-13(8-11(10)2)20-14-6-7-15(12(3)9-14)16(17,18)19;/h6-7,9-11,13H,4-5,8H2,1-3H3;/q-1;+1.
What are the key properties of potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide?
potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide has a molecular weight of 324.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide is sourced from PubChem (CID 83137073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).