potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide

C7H14BF3KNO2 — CID 167724676

IUPACpotassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
SMILESC[C@H](NC(=O)OC(C)(C)C)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H14BF3NO2.K/c1-5(8(9,10)11)12-6(13)14-7(2,3)4;/h5H,1-4H3,(H,12,13);/q-1;+1/t5-;/m0./s1
InChIKeyARNVASZGFPOFMA-JEDNCBNOSA-N
MW251.10 g/mol
LogP-0.71
Rot. Bonds2

About potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide

potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide (PubChem CID 167724676) has the molecular formula C7H14BF3KNO2 and a molecular weight of 251.10 g/mol. Its IUPAC name is potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
PubChem CID167724676
Molecular FormulaC7H14BF3KNO2
Molecular Weight251.10 g/mol
Exact Mass251.07
IUPAC Namepotassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
SMILESC[C@H](NC(=O)OC(C)(C)C)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H14BF3NO2.K/c1-5(8(9,10)11)12-6(13)14-7(2,3)4;/h5H,1-4H3,(H,12,13);/q-1;+1/t5-;/m0./s1
InChIKeyARNVASZGFPOFMA-JEDNCBNOSA-N
XLogP-0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
The IUPAC name of potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide (CID 167724676) is potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
The canonical SMILES for potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide is C[C@H](NC(=O)OC(C)(C)C)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
The InChIKey is ARNVASZGFPOFMA-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H14BF3NO2.K/c1-5(8(9,10)11)12-6(13)14-7(2,3)4;/h5H,1-4H3,(H,12,13);/q-1;+1/t5-;/m0./s1.
What are the key properties of potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide has a molecular weight of 251.10 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide is sourced from PubChem (CID 167724676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).