potassium (3-benzylselanylphenyl)-trifluoroboranuide

C13H11BF3KSe — CID 46239924

IUPACpotassium (3-benzylselanylphenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc([Se]Cc2ccccc2)c1.[K+]
InChIInChI=1S/C13H11BF3Se.K/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11;/h1-9H,10H2;/q-1;+1
InChIKeyXIUAERIADGBSBZ-UHFFFAOYSA-N
MW353.09 g/mol
LogP-0.73
Rot. Bonds4

About potassium (3-benzylselanylphenyl)-trifluoroboranuide

potassium (3-benzylselanylphenyl)-trifluoroboranuide (PubChem CID 46239924) has the molecular formula C13H11BF3KSe and a molecular weight of 353.09 g/mol. Its IUPAC name is potassium (3-benzylselanylphenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3-benzylselanylphenyl)-trifluoroboranuide
PubChem CID46239924
Molecular FormulaC13H11BF3KSe
Molecular Weight353.09 g/mol
Exact Mass353.97
IUPAC Namepotassium (3-benzylselanylphenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc([Se]Cc2ccccc2)c1.[K+]
InChIInChI=1S/C13H11BF3Se.K/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11;/h1-9H,10H2;/q-1;+1
InChIKeyXIUAERIADGBSBZ-UHFFFAOYSA-N
XLogP-0.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 5-0.73
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

potassium (4-benzylselanylphenyl)-trifluoroboranuide
CID 46239710
1-bromo-4-(phenylselanylmethyl)benzene
CID 12681929
1-ethyl-4-(phenylselanylmethyl)benzene
CID 140560574
1-nitro-3-(phenylselanylmethyl)benzene
CID 71443025
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
1-(phenylselanylmethyl)naphthalene
CID 12681932
trifluoro-[3-[(4-methylanilino)methyl]phenyl]boranuide
CID 86767277
CID 101404869
CID 101404869
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide
CID 167726645
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095

Frequently Asked Questions

What is the IUPAC name of potassium (3-benzylselanylphenyl)-trifluoroboranuide?
The IUPAC name of potassium (3-benzylselanylphenyl)-trifluoroboranuide (CID 46239924) is potassium (3-benzylselanylphenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (3-benzylselanylphenyl)-trifluoroboranuide?
The canonical SMILES for potassium (3-benzylselanylphenyl)-trifluoroboranuide is F[B-](F)(F)c1cccc([Se]Cc2ccccc2)c1.[K+].
What is the InChIKey of potassium (3-benzylselanylphenyl)-trifluoroboranuide?
The InChIKey is XIUAERIADGBSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3Se.K/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11;/h1-9H,10H2;/q-1;+1.
What are the key properties of potassium (3-benzylselanylphenyl)-trifluoroboranuide?
potassium (3-benzylselanylphenyl)-trifluoroboranuide has a molecular weight of 353.09 g/mol, XLogP of -0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-benzylselanylphenyl)-trifluoroboranuide is sourced from PubChem (CID 46239924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).