tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate

C11H20F3NO3 — CID 146400824

IUPACtert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)OCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-5-8(17-7-11(12,13)14)6-15-9(16)18-10(2,3)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyUEFDKKHERUBXOL-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.87
Rot. Bonds5

About tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate

tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate (PubChem CID 146400824) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate
PubChem CID146400824
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)OCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-5-8(17-7-11(12,13)14)6-15-9(16)18-10(2,3)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyUEFDKKHERUBXOL-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate (CID 146400824) is tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)OCC(F)(F)F.
What is the InChIKey of tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate?
The InChIKey is UEFDKKHERUBXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-5-8(17-7-11(12,13)14)6-15-9(16)18-10(2,3)4/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate?
tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate has a molecular weight of 271.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2,2-trifluoroethoxy)butyl]carbamate is sourced from PubChem (CID 146400824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).