tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate

C8H14F3NO3 — CID 125424506

IUPACtert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate
SMILESCN(OCC(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C8H14F3NO3/c1-7(2,3)15-6(13)12(4)14-5-8(9,10)11/h5H2,1-4H3
InChIKeyWFAZKHURLQQLQG-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.35
Rot. Bonds2

About tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate

tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate (PubChem CID 125424506) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate
PubChem CID125424506
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate
SMILESCN(OCC(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C8H14F3NO3/c1-7(2,3)15-6(13)12(4)14-5-8(9,10)11/h5H2,1-4H3
InChIKeyWFAZKHURLQQLQG-UHFFFAOYSA-N
XLogP2.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate (CID 125424506) is tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate is CN(OCC(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate?
The InChIKey is WFAZKHURLQQLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-7(2,3)15-6(13)12(4)14-5-8(9,10)11/h5H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate?
tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate has a molecular weight of 229.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2,2,2-trifluoroethoxy)carbamate is sourced from PubChem (CID 125424506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).