potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide

C11H9BF3KOS — CID 112596223

IUPACpotassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
SMILESOc1ccc(SC[B-](F)(F)F)c2ccccc12.[K+]
InChIInChI=1S/C11H9BF3OS.K/c13-12(14,15)7-17-11-6-5-10(16)8-3-1-2-4-9(8)11;/h1-6,16H,7H2;/q-1;+1
InChIKeyBYKXQNRWYJMFCZ-UHFFFAOYSA-N
MW296.16 g/mol
LogP1.03
Rot. Bonds3

About potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide

potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide (PubChem CID 112596223) has the molecular formula C11H9BF3KOS and a molecular weight of 296.16 g/mol. Its IUPAC name is potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
PubChem CID112596223
Molecular FormulaC11H9BF3KOS
Molecular Weight296.16 g/mol
Exact Mass296.01
IUPAC Namepotassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
SMILESOc1ccc(SC[B-](F)(F)F)c2ccccc12.[K+]
InChIInChI=1S/C11H9BF3OS.K/c13-12(14,15)7-17-11-6-5-10(16)8-3-1-2-4-9(8)11;/h1-6,16H,7H2;/q-1;+1
InChIKeyBYKXQNRWYJMFCZ-UHFFFAOYSA-N
XLogP1.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
CID 112596094
4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol
CID 113436442
4-(pyrimidin-2-ylmethylsulfanyl)naphthalen-1-ol
CID 112596012
4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
CID 115945221
4-[(E)-4-aminobut-2-enyl]sulfanylnaphthalen-1-ol
CID 112595981
4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol
CID 112596099
4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
CID 112596009
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551
N-(cyanomethyl)-2-(4-hydroxynaphthalen-1-yl)sulfanylacetamide
CID 112596059
4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol
CID 105374587
4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
CID 112596118
3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide
CID 112596219

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide (CID 112596223) is potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide is Oc1ccc(SC[B-](F)(F)F)c2ccccc12.[K+].
What is the InChIKey of potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide?
The InChIKey is BYKXQNRWYJMFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BF3OS.K/c13-12(14,15)7-17-11-6-5-10(16)8-3-1-2-4-9(8)11;/h1-6,16H,7H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide?
potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide has a molecular weight of 296.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide is sourced from PubChem (CID 112596223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).