potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide

C13H17BF3KSe — CID 46239811

IUPACpotassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc([Se]CC2CCCCC2)cc1.[K+]
InChIInChI=1S/C13H17BF3Se.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h6-9,11H,1-5,10H2;/q-1;+1
InChIKeyGQDLOFQMHSPVNU-UHFFFAOYSA-N
MW359.14 g/mol
LogP0.07
Rot. Bonds4

About potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide

potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide (PubChem CID 46239811) has the molecular formula C13H17BF3KSe and a molecular weight of 359.14 g/mol. Its IUPAC name is potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide
PubChem CID46239811
Molecular FormulaC13H17BF3KSe
Molecular Weight359.14 g/mol
Exact Mass360.02
IUPAC Namepotassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc([Se]CC2CCCCC2)cc1.[K+]
InChIInChI=1S/C13H17BF3Se.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h6-9,11H,1-5,10H2;/q-1;+1
InChIKeyGQDLOFQMHSPVNU-UHFFFAOYSA-N
XLogP0.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-(cyclohexylmethoxy)phenyl]-trifluoroboranuide
CID 55232578
2-cyclohexylethylselanylbenzene
CID 170984114
(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane
CID 139264964
cyclohexyl(triphenyl)boranuide
CID 18982282
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide
CID 82928963
(2S,3aS,7aR)-2-(phenylselanylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 101007954
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
4-cyclohexylbut-2-en-1-amine;hydrochloride
CID 67913983
cyclohexyl(triphenyl)boranuide;tetraethylazanium
CID 139835066

Frequently Asked Questions

What is the IUPAC name of potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide (CID 46239811) is potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide is F[B-](F)(F)c1ccc([Se]CC2CCCCC2)cc1.[K+].
What is the InChIKey of potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide?
The InChIKey is GQDLOFQMHSPVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BF3Se.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h6-9,11H,1-5,10H2;/q-1;+1.
What are the key properties of potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide?
potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide has a molecular weight of 359.14 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-(cyclohexylmethylselanyl)phenyl]-trifluoroboranuide is sourced from PubChem (CID 46239811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).