potassium 1-benzothiophen-3-yl(trifluoro)boranuide

C8H5BF3KS — CID 117064430

IUPACpotassium 1-benzothiophen-3-yl(trifluoro)boranuide
SMILESF[B-](F)(F)c1csc2ccccc12.[K+]
InChIInChI=1S/C8H5BF3S.K/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;/h1-5H;/q-1;+1
InChIKeyCMEOIXLPVLKJDC-UHFFFAOYSA-N
MW240.10 g/mol
LogP-0.04
Rot. Bonds1

About potassium 1-benzothiophen-3-yl(trifluoro)boranuide

potassium 1-benzothiophen-3-yl(trifluoro)boranuide (PubChem CID 117064430) has the molecular formula C8H5BF3KS and a molecular weight of 240.10 g/mol. Its IUPAC name is potassium 1-benzothiophen-3-yl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 1-benzothiophen-3-yl(trifluoro)boranuide
PubChem CID117064430
Molecular FormulaC8H5BF3KS
Molecular Weight240.10 g/mol
Exact Mass239.98
IUPAC Namepotassium 1-benzothiophen-3-yl(trifluoro)boranuide
SMILESF[B-](F)(F)c1csc2ccccc12.[K+]
InChIInChI=1S/C8H5BF3S.K/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;/h1-5H;/q-1;+1
InChIKeyCMEOIXLPVLKJDC-UHFFFAOYSA-N
XLogP-0.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 5-0.04
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

potassium (5-amino-1-benzothiophen-3-yl)-trifluoroboranuide
CID 167725782
3-methyl-1-benzothiophene;zinc
CID 70563074
3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
CID 102259233
3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene
CID 177256716
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
3-(1,1-difluoroethyl)-1-benzothiophene;ethane
CID 154677348
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
3-(dibromomethyl)-1-benzothiophene
CID 175195145
2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
CID 67815156
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
3-(1,1-difluoro-2-methylpropyl)-1-benzothiophene
CID 116841490

Frequently Asked Questions

What is the IUPAC name of potassium 1-benzothiophen-3-yl(trifluoro)boranuide?
The IUPAC name of potassium 1-benzothiophen-3-yl(trifluoro)boranuide (CID 117064430) is potassium 1-benzothiophen-3-yl(trifluoro)boranuide.
What is the SMILES notation for potassium 1-benzothiophen-3-yl(trifluoro)boranuide?
The canonical SMILES for potassium 1-benzothiophen-3-yl(trifluoro)boranuide is F[B-](F)(F)c1csc2ccccc12.[K+].
What is the InChIKey of potassium 1-benzothiophen-3-yl(trifluoro)boranuide?
The InChIKey is CMEOIXLPVLKJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BF3S.K/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;/h1-5H;/q-1;+1.
What are the key properties of potassium 1-benzothiophen-3-yl(trifluoro)boranuide?
potassium 1-benzothiophen-3-yl(trifluoro)boranuide has a molecular weight of 240.10 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-benzothiophen-3-yl(trifluoro)boranuide is sourced from PubChem (CID 117064430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).