potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide

C7H6BF4KS — CID 63702096

IUPACpotassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide
SMILESFc1ccc(SC[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H6BF4S.K/c9-6-1-3-7(4-2-6)13-5-8(10,11)12;/h1-4H,5H2;/q-1;+1
InChIKeyQKTHGADAJCAARJ-UHFFFAOYSA-N
MW248.09 g/mol
LogP0.31
Rot. Bonds3

About potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide

potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide (PubChem CID 63702096) has the molecular formula C7H6BF4KS and a molecular weight of 248.09 g/mol. Its IUPAC name is potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide
PubChem CID63702096
Molecular FormulaC7H6BF4KS
Molecular Weight248.09 g/mol
Exact Mass247.99
IUPAC Namepotassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide
SMILESFc1ccc(SC[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H6BF4S.K/c9-6-1-3-7(4-2-6)13-5-8(10,11)12;/h1-4H,5H2;/q-1;+1
InChIKeyQKTHGADAJCAARJ-UHFFFAOYSA-N
XLogP0.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 50.31
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

trifluoro-[(4-hydroxyphenyl)sulfanylmethyl]boranuide
CID 63703679
2-(4-fluorophenyl)sulfanylacetonitrile
CID 581375
trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide
CID 106746928
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
potassium 2-(4-fluorophenyl)sulfanylacetate
CID 23670823
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
CID 55024188
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
methane;1,2,3,4,5-pentafluoro-6-[(4-fluorophenyl)sulfanylmethylsulfanyl]benzene
CID 158080400
4-(4-fluorophenyl)sulfanylbut-2-en-1-amine
CID 77110656
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91658314
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide (CID 63702096) is potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide is Fc1ccc(SC[B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide?
The InChIKey is QKTHGADAJCAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF4S.K/c9-6-1-3-7(4-2-6)13-5-8(10,11)12;/h1-4H,5H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide?
potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide has a molecular weight of 248.09 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide is sourced from PubChem (CID 63702096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).