potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide

C14H18BF4KO — CID 64738792

IUPACpotassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide
SMILESCC1CCC(Oc2ccc(F)cc2[B-](F)(F)F)CC1C.[K+]
InChIInChI=1S/C14H18BF4O.K/c1-9-3-5-12(7-10(9)2)20-14-6-4-11(16)8-13(14)15(17,18)19;/h4,6,8-10,12H,3,5,7H2,1-2H3;/q-1;+1
InChIKeyNTJHMALCOOUICL-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.09
Rot. Bonds3

About potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide

potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide (PubChem CID 64738792) has the molecular formula C14H18BF4KO and a molecular weight of 328.20 g/mol. Its IUPAC name is potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide
PubChem CID64738792
Molecular FormulaC14H18BF4KO
Molecular Weight328.20 g/mol
Exact Mass328.10
IUPAC Namepotassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide
SMILESCC1CCC(Oc2ccc(F)cc2[B-](F)(F)F)CC1C.[K+]
InChIInChI=1S/C14H18BF4O.K/c1-9-3-5-12(7-10(9)2)20-14-6-4-11(16)8-13(14)15(17,18)19;/h4,6,8-10,12H,3,5,7H2,1-2H3;/q-1;+1
InChIKeyNTJHMALCOOUICL-UHFFFAOYSA-N
XLogP1.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.09
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 [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide?
The IUPAC name of potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide (CID 64738792) is potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide?
The canonical SMILES for potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide is CC1CCC(Oc2ccc(F)cc2[B-](F)(F)F)CC1C.[K+].
What is the InChIKey of potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide?
The InChIKey is NTJHMALCOOUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BF4O.K/c1-9-3-5-12(7-10(9)2)20-14-6-4-11(16)8-13(14)15(17,18)19;/h4,6,8-10,12H,3,5,7H2,1-2H3;/q-1;+1.
What are the key properties of potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide?
potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide has a molecular weight of 328.20 g/mol, XLogP of 1.09, 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)oxy-5-fluorophenyl]-trifluoroboranuide is sourced from PubChem (CID 64738792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).