potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide

C9H7BClF3KN — CID 103474693

IUPACpotassium (7-chloroindol-1-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)Cn1ccc2cccc(Cl)c21.[K+]
InChIInChI=1S/C9H7BClF3N.K/c11-8-3-1-2-7-4-5-15(9(7)8)6-10(12,13)14;/h1-5H,6H2;/q-1;+1
InChIKeyPRWFRYIENBINMN-UHFFFAOYSA-N
MW271.52 g/mol
LogP0.69
Rot. Bonds2

About potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide

potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide (PubChem CID 103474693) has the molecular formula C9H7BClF3KN and a molecular weight of 271.52 g/mol. Its IUPAC name is potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (7-chloroindol-1-yl)methyl-trifluoroboranuide
PubChem CID103474693
Molecular FormulaC9H7BClF3KN
Molecular Weight271.52 g/mol
Exact Mass270.99
IUPAC Namepotassium (7-chloroindol-1-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)Cn1ccc2cccc(Cl)c21.[K+]
InChIInChI=1S/C9H7BClF3N.K/c11-8-3-1-2-7-4-5-15(9(7)8)6-10(12,13)14;/h1-5H,6H2;/q-1;+1
InChIKeyPRWFRYIENBINMN-UHFFFAOYSA-N
XLogP0.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.52
LogP ≤ 50.69
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 trifluoro-[(7-nitroindol-1-yl)methyl]boranuide
CID 114936019
7-chloro-1-(3-methylbut-2-enyl)indole
CID 103474747
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
7-chloro-1-(2-methylprop-2-enyl)indole
CID 103474876
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068
7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
CID 103475019
7-chloro-1-(ethoxymethyl)indole
CID 103474866
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
7-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 103475316
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
7-chloro-1-decylindole
CID 103474775

Frequently Asked Questions

What is the IUPAC name of potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide (CID 103474693) is potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide is F[B-](F)(F)Cn1ccc2cccc(Cl)c21.[K+].
What is the InChIKey of potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide?
The InChIKey is PRWFRYIENBINMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BClF3N.K/c11-8-3-1-2-7-4-5-15(9(7)8)6-10(12,13)14;/h1-5H,6H2;/q-1;+1.
What are the key properties of potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide?
potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide has a molecular weight of 271.52 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 103474693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).