potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide

C13H16BClF3KO — CID 63703656

IUPACpotassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide
SMILESF[B-](F)(F)COc1ccc(Cl)cc1C1CCCCC1.[K+]
InChIInChI=1S/C13H16BClF3O.K/c15-11-6-7-13(19-9-14(16,17)18)12(8-11)10-4-2-1-3-5-10;/h6-8,10H,1-5,9H2;/q-1;+1
InChIKeyYDGJGRHMZJOZCR-UHFFFAOYSA-N
MW330.63 g/mol
LogP2.16
Rot. Bonds4

About potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide

potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide (PubChem CID 63703656) has the molecular formula C13H16BClF3KO and a molecular weight of 330.63 g/mol. Its IUPAC name is potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide
PubChem CID63703656
Molecular FormulaC13H16BClF3KO
Molecular Weight330.63 g/mol
Exact Mass330.06
IUPAC Namepotassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide
SMILESF[B-](F)(F)COc1ccc(Cl)cc1C1CCCCC1.[K+]
InChIInChI=1S/C13H16BClF3O.K/c15-11-6-7-13(19-9-14(16,17)18)12(8-11)10-4-2-1-3-5-10;/h6-8,10H,1-5,9H2;/q-1;+1
InChIKeyYDGJGRHMZJOZCR-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 52.16
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

4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
N-[2-(4-chloro-2-cyclohexylphenoxy)ethyl]propan-2-amine
CID 63517195
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483
4-(4-chloro-2-cyclohexylphenoxy)phenol
CID 12767829
2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
CID 63488678
3-(4-chloro-2-cyclohexylphenoxy)-2-phenoxypropanoic acid
CID 57264075
2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 78887844
2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 78889023
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55775298

Frequently Asked Questions

What is the IUPAC name of potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide?
The IUPAC name of potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide (CID 63703656) is potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide?
The canonical SMILES for potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide is F[B-](F)(F)COc1ccc(Cl)cc1C1CCCCC1.[K+].
What is the InChIKey of potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide?
The InChIKey is YDGJGRHMZJOZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BClF3O.K/c15-11-6-7-13(19-9-14(16,17)18)12(8-11)10-4-2-1-3-5-10;/h6-8,10H,1-5,9H2;/q-1;+1.
What are the key properties of potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide?
potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide has a molecular weight of 330.63 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide is sourced from PubChem (CID 63703656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).