potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide

C8H16BF3KNO2 — CID 155970722

IUPACpotassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide
SMILESCC(C[B-](F)(F)F)NC(=O)OC(C)(C)C.[K+]
InChIInChI=1S/C8H16BF3NO2.K/c1-6(5-9(10,11)12)13-7(14)15-8(2,3)4;/h6H,5H2,1-4H3,(H,13,14);/q-1;+1
InChIKeyVJNGBLLUDQOJIK-UHFFFAOYSA-N
MW265.12 g/mol
LogP-0.25
Rot. Bonds3

About potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide

potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide (PubChem CID 155970722) has the molecular formula C8H16BF3KNO2 and a molecular weight of 265.12 g/mol. Its IUPAC name is potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide
PubChem CID155970722
Molecular FormulaC8H16BF3KNO2
Molecular Weight265.12 g/mol
Exact Mass265.09
IUPAC Namepotassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide
SMILESCC(C[B-](F)(F)F)NC(=O)OC(C)(C)C.[K+]
InChIInChI=1S/C8H16BF3NO2.K/c1-6(5-9(10,11)12)13-7(14)15-8(2,3)4;/h6H,5H2,1-4H3,(H,13,14);/q-1;+1
InChIKeyVJNGBLLUDQOJIK-UHFFFAOYSA-N
XLogP-0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium tert-butyl N-(2-(trifluoroboranuidyl)ethyl)carbamate
CID 42614635
Tert-butyl isopropylcarbamate
CID 5093479
tert-Butyl (S)-(1-fluoropropan-2-yl)carbamate
CID 89017310
(R)-tert-Butyl sec-butylcarbamate
CID 14663479
Potassium (4-{[(tert-butoxy)carbonyl]amino}cyclohexyl)trifluoroboranuide
CID 82017754
potassium tert-butyl N-[3-(trifluoroboranuidyl)propyl]carbamate
CID 132398625
potassium tert-butyl N-[(1R)-1-(trifluoroboranuidyl)ethyl]carbamate
CID 167724676
(S)-tert-Butyl sec-butylcarbamate
CID 88439188
Trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
CID 42614636
(1,1,1-trifluoro-2-methylpropan-2-yl) N-propan-2-ylcarbamate
CID 57846586
Trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide
CID 75480879
((R)-2,2-difluoro-1-methyl-propyl)-carbamic acid tert-butyl ester
CID 86677920

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide?
The IUPAC name of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide (CID 155970722) is potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide is CC(C[B-](F)(F)F)NC(=O)OC(C)(C)C.[K+].
What is the InChIKey of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide?
The InChIKey is VJNGBLLUDQOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3NO2.K/c1-6(5-9(10,11)12)13-7(14)15-8(2,3)4;/h6H,5H2,1-4H3,(H,13,14);/q-1;+1.
What are the key properties of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide?
potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide has a molecular weight of 265.12 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide is sourced from PubChem (CID 155970722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).