tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate

C11H19F3N2O3 — CID 90226625

IUPACtert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-5-7(8(17)15-6-11(12,13)14)16-9(18)19-10(2,3)4/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyBXAUDQGZBJURQM-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate

tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate (PubChem CID 90226625) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate
PubChem CID90226625
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-5-7(8(17)15-6-11(12,13)14)16-9(18)19-10(2,3)4/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyBXAUDQGZBJURQM-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate (CID 90226625) is tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate is CCC(NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate?
The InChIKey is BXAUDQGZBJURQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-5-7(8(17)15-6-11(12,13)14)16-9(18)19-10(2,3)4/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate has a molecular weight of 284.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 90226625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).