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

C14H19BF3KO — CID 64738388

IUPACpotassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
SMILESCC1CCC(Oc2ccccc2[B-](F)(F)F)CC1C.[K+]
InChIInChI=1S/C14H19BF3O.K/c1-10-7-8-12(9-11(10)2)19-14-6-4-3-5-13(14)15(16,17)18;/h3-6,10-12H,7-9H2,1-2H3;/q-1;+1
InChIKeyLZVASWBEMAKDBU-UHFFFAOYSA-N
MW310.21 g/mol
LogP0.95
Rot. Bonds3

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

potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide (PubChem CID 64738388) has the molecular formula C14H19BF3KO and a molecular weight of 310.21 g/mol. Its IUPAC name is potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
PubChem CID64738388
Molecular FormulaC14H19BF3KO
Molecular Weight310.21 g/mol
Exact Mass310.11
IUPAC Namepotassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
SMILESCC1CCC(Oc2ccccc2[B-](F)(F)F)CC1C.[K+]
InChIInChI=1S/C14H19BF3O.K/c1-10-7-8-12(9-11(10)2)19-14-6-4-3-5-13(14)15(16,17)18;/h3-6,10-12H,7-9H2,1-2H3;/q-1;+1
InChIKeyLZVASWBEMAKDBU-UHFFFAOYSA-N
XLogP0.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide
CID 64738792
[2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide
CID 64738793
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide
CID 83137073
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64738951
4-[2-(3,4-dimethylcyclohexyl)oxyphenyl]but-3-yn-1-ol
CID 64738050
trifluoro-[5-fluoro-2-(4-methylcyclohexyl)oxyphenyl]boranuide
CID 64747952

Frequently Asked Questions

What is the IUPAC name of potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide?
The IUPAC name of potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide (CID 64738388) is potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide?
The canonical SMILES for potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide is CC1CCC(Oc2ccccc2[B-](F)(F)F)CC1C.[K+].
What is the InChIKey of potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide?
The InChIKey is LZVASWBEMAKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BF3O.K/c1-10-7-8-12(9-11(10)2)19-14-6-4-3-5-13(14)15(16,17)18;/h3-6,10-12H,7-9H2,1-2H3;/q-1;+1.
What are the key properties of potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide?
potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide has a molecular weight of 310.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide is sourced from PubChem (CID 64738388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).