potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide

C12H7BF3K — CID 135083871

IUPACpotassium trifluoro(2-naphthalen-1-ylethynyl)boranuide
SMILESF[B-](F)(F)C#Cc1cccc2ccccc12.[K+]
InChIInChI=1S/C12H7BF3.K/c14-13(15,16)9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7H;/q-1;+1
InChIKeyLCNNZKPXTDEDJG-UHFFFAOYSA-N
MW258.09 g/mol
LogP0.58
Rot. Bonds

About potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide

potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide (PubChem CID 135083871) has the molecular formula C12H7BF3K and a molecular weight of 258.09 g/mol. Its IUPAC name is potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(2-naphthalen-1-ylethynyl)boranuide
PubChem CID135083871
Molecular FormulaC12H7BF3K
Molecular Weight258.09 g/mol
Exact Mass258.02
IUPAC Namepotassium trifluoro(2-naphthalen-1-ylethynyl)boranuide
SMILESF[B-](F)(F)C#Cc1cccc2ccccc12.[K+]
InChIInChI=1S/C12H7BF3.K/c14-13(15,16)9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7H;/q-1;+1
InChIKeyLCNNZKPXTDEDJG-UHFFFAOYSA-N
XLogP0.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene
CID 138857608
5,11,13,15-tetrakis(2-naphthalen-1-ylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 122373167
3-naphthalen-1-ylprop-2-ynenitrile
CID 116791050
3-(2-naphthalen-1-ylethynyl)benzene-1,2-diol
CID 67420821
1-[2-(3-fluorophenyl)ethynyl]naphthalene
CID 171990074
naphthalene-1-carbonitrile;sulfane
CID 175607355
silver 1-ethynylnaphthalene
CID 15597420
1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene
CID 15498615
1-(2-phenylsulfanylethynyl)naphthalene
CID 141231392
1-(2-phenylselanylethynyl)naphthalene
CID 11522394
triethyl(2-naphthalen-1-ylethynyl)silane
CID 102108205

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide?
The IUPAC name of potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide (CID 135083871) is potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide.
What is the SMILES notation for potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide?
The canonical SMILES for potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide is F[B-](F)(F)C#Cc1cccc2ccccc12.[K+].
What is the InChIKey of potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide?
The InChIKey is LCNNZKPXTDEDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BF3.K/c14-13(15,16)9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7H;/q-1;+1.
What are the key properties of potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide?
potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide has a molecular weight of 258.09 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide is sourced from PubChem (CID 135083871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).