2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate

C10H17F3N2O3 — CID 65168372

IUPAC2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)14-7(16)5-15(4)8(17)18-6-10(11,12)13/h5-6H2,1-4H3,(H,14,16)
InChIKeyWNZAKRIOVFZNCE-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.53
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate

2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 65168372) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate
PubChem CID65168372
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)14-7(16)5-15(4)8(17)18-6-10(11,12)13/h5-6H2,1-4H3,(H,14,16)
InChIKeyWNZAKRIOVFZNCE-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate (CID 65168372) is 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate is CN(CC(=O)NC(C)(C)C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is WNZAKRIOVFZNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,3)14-7(16)5-15(4)8(17)18-6-10(11,12)13/h5-6H2,1-4H3,(H,14,16).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate?
2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 270.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 65168372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).