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

C7H14BF3NO2- — CID 42614636

IUPACtrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
SMILESCC(C)(C)OC(=O)NCC[B-](F)(F)F
InChIInChI=1S/C7H14BF3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)/q-1
InChIKeyWPMLVICGCJWWTJ-UHFFFAOYSA-N
MW212.00 g/mol
LogP2.36
Rot. Bonds3

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

trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide (PubChem CID 42614636) has the molecular formula C7H14BF3NO2- and a molecular weight of 212.00 g/mol. Its IUPAC name is trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
PubChem CID42614636
Molecular FormulaC7H14BF3NO2-
Molecular Weight212.00 g/mol
Exact Mass212.11
IUPAC Nametrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
SMILESCC(C)(C)OC(=O)NCC[B-](F)(F)F
InChIInChI=1S/C7H14BF3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)/q-1
InChIKeyWPMLVICGCJWWTJ-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.00
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trifluoro-[2-[(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

Related Compounds

Tert-butyl N-ethylcarbamate
CID 11198486
tert-Butyl (2-fluoroethyl)carbamate
CID 15356831
potassium tert-butyl N-(2-(trifluoroboranuidyl)ethyl)carbamate
CID 42614635
Potassium (aminomethyl)trifluoroborate, N-BOC protected
CID 53483531
potassium tert-butyl N-[1-(trifluoroboranuidyl)propan-2-yl]carbamate
CID 155970722
potassium tert-butyl N-[3-(trifluoroboranuidyl)propyl]carbamate
CID 132398625
potassium tert-butyl N-[(1R)-1-(trifluoroboranuidyl)ethyl]carbamate
CID 167724676
Tert-butyl (2,2,2-trifluoroethyl)carbamate
CID 20201352
(((tert-Butoxycarbonyl)amino)methyl)trifluoroborate
CID 53483532
tert-Butyl (2,2-difluoroethyl)carbamate
CID 79090073
(1,1-difluoro-2-methylpropan-2-yl) N-ethylcarbamate
CID 89382175
(1,1,1-trifluoro-2-methylpropan-2-yl) N-ethylcarbamate
CID 89382192

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
The IUPAC name of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide (CID 42614636) is trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide.
What is the SMILES notation for trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
The canonical SMILES for trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide is CC(C)(C)OC(=O)NCC[B-](F)(F)F.
What is the InChIKey of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
The InChIKey is WPMLVICGCJWWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)/q-1.
What are the key properties of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide?
trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide has a molecular weight of 212.00 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide is sourced from PubChem (CID 42614636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).