potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide

C13H14BF3KNO2 — CID 23664789

IUPACpotassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide
SMILESCC(C)(C)OC(=O)n1c([B-](F)(F)F)cc2ccccc21.[K+]
InChIInChI=1S/C13H14BF3NO2.K/c1-13(2,3)20-12(19)18-10-7-5-4-6-9(10)8-11(18)14(15,16)17;/h4-8H,1-3H3;/q-1;+1
InChIKeyIIPRPASPOXMUTF-UHFFFAOYSA-N
MW323.16 g/mol
LogP0.48
Rot. Bonds1

About potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide

potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide (PubChem CID 23664789) has the molecular formula C13H14BF3KNO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide
PubChem CID23664789
Molecular FormulaC13H14BF3KNO2
Molecular Weight323.16 g/mol
Exact Mass323.07
IUPAC Namepotassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide
SMILESCC(C)(C)OC(=O)n1c([B-](F)(F)F)cc2ccccc21.[K+]
InChIInChI=1S/C13H14BF3NO2.K/c1-13(2,3)20-12(19)18-10-7-5-4-6-9(10)8-11(18)14(15,16)17;/h4-8H,1-3H3;/q-1;+1
InChIKeyIIPRPASPOXMUTF-UHFFFAOYSA-N
XLogP0.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide (CID 23664789) is potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide is CC(C)(C)OC(=O)n1c([B-](F)(F)F)cc2ccccc21.[K+].
What is the InChIKey of potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide?
The InChIKey is IIPRPASPOXMUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BF3NO2.K/c1-13(2,3)20-12(19)18-10-7-5-4-6-9(10)8-11(18)14(15,16)17;/h4-8H,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide?
potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide has a molecular weight of 323.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boranuide is sourced from PubChem (CID 23664789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).