tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate

C10H18F3N3O3 — CID 175503346

IUPACtert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate
SMILESCN(NCC(=O)NC(F)C(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18F3N3O3/c1-10(2,3)19-9(18)16(4)14-5-6(17)15-8(13)7(11)12/h7-8,14H,5H2,1-4H3,(H,15,17)
InChIKeyJPXASKYDSSKOLK-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.03
Rot. Bonds5

About tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate

tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate (PubChem CID 175503346) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate
PubChem CID175503346
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC Nametert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate
SMILESCN(NCC(=O)NC(F)C(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18F3N3O3/c1-10(2,3)19-9(18)16(4)14-5-6(17)15-8(13)7(11)12/h7-8,14H,5H2,1-4H3,(H,15,17)
InChIKeyJPXASKYDSSKOLK-UHFFFAOYSA-N
XLogP1.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 54487148
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tert-butyl N-[[2-hydroxy-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-methylcarbamate
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tert-butyl N-methyl-N-(methylamino)carbamate
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tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
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tert-butyl N-[1-(dimethylcarbamoylamino)propyl]-N-methylcarbamate
CID 139666952
tert-butyl N-(1,1-difluoro-3-oxopropan-2-yl)-N-methylcarbamate
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tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate (CID 175503346) is tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate is CN(NCC(=O)NC(F)C(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate?
The InChIKey is JPXASKYDSSKOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c1-10(2,3)19-9(18)16(4)14-5-6(17)15-8(13)7(11)12/h7-8,14H,5H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate?
tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate has a molecular weight of 285.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate is sourced from PubChem (CID 175503346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).