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

C6H12BF3KNO2 — CID 53483531

IUPACpotassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide
SMILESCC(C)(C)OC(=O)NC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H12BF3NO2.K/c1-6(2,3)13-5(12)11-4-7(8,9)10;/h4H2,1-3H3,(H,11,12);/q-1;+1
InChIKeyWSOSBCPWIQUNLD-UHFFFAOYSA-N
MW237.07 g/mol
LogP-1.10
Rot. Bonds2

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

potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide (PubChem CID 53483531) has the molecular formula C6H12BF3KNO2 and a molecular weight of 237.07 g/mol. Its IUPAC name is potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide
PubChem CID53483531
Molecular FormulaC6H12BF3KNO2
Molecular Weight237.07 g/mol
Exact Mass237.06
IUPAC Namepotassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide
SMILESCC(C)(C)OC(=O)NC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H12BF3NO2.K/c1-6(2,3)13-5(12)11-4-7(8,9)10;/h4H2,1-3H3,(H,11,12);/q-1;+1
InChIKeyWSOSBCPWIQUNLD-UHFFFAOYSA-N
XLogP-1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 5-1.10
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
potassium tert-butyl N-methyl-N-[(trifluoroboranuidyl)methyl]carbamate
CID 117587757
potassium tert-butyl N-[(1R)-1-(trifluoroboranuidyl)ethyl]carbamate
CID 167724676
Trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
CID 42614636
(((tert-Butoxycarbonyl)amino)methyl)trifluoroborate
CID 53483532
(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
CID 89147753
tert-butyl N-(fluoromethyl)carbamate
CID 90274250
tert-butyl N-(2-difluoroboranylethyl)carbamate
CID 123598609
tert-butyl N-(difluoroboranylmethyl)carbamate
CID 140757532
(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate
CID 145054262
Trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranium
CID 170931988
(1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate
CID 144609628

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide (CID 53483531) is potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide is CC(C)(C)OC(=O)NC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide?
The InChIKey is WSOSBCPWIQUNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BF3NO2.K/c1-6(2,3)13-5(12)11-4-7(8,9)10;/h4H2,1-3H3,(H,11,12);/q-1;+1.
What are the key properties of potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide?
potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide has a molecular weight of 237.07 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide is sourced from PubChem (CID 53483531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).