2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide

C7H12F3N3O3 — CID 103816384

IUPAC2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
SMILESNC(=O)COCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O3/c8-7(9,10)4-13-6(15)12-1-2-16-3-5(11)14/h1-4H2,(H2,11,14)(H2,12,13,15)
InChIKeyPLLYODBHNWZMNB-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.65
Rot. Bonds6

About 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide

2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide (PubChem CID 103816384) has the molecular formula C7H12F3N3O3 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
PubChem CID103816384
Molecular FormulaC7H12F3N3O3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC Name2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
SMILESNC(=O)COCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O3/c8-7(9,10)4-13-6(15)12-1-2-16-3-5(11)14/h1-4H2,(H2,11,14)(H2,12,13,15)
InChIKeyPLLYODBHNWZMNB-UHFFFAOYSA-N
XLogP-0.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223589
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 106239228
1-(3-propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
CID 114162551
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62337065
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106239344
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
CID 106239604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide (CID 103816384) is 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide is NC(=O)COCCNC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide?
The InChIKey is PLLYODBHNWZMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O3/c8-7(9,10)4-13-6(15)12-1-2-16-3-5(11)14/h1-4H2,(H2,11,14)(H2,12,13,15).
What are the key properties of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide?
2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide has a molecular weight of 243.18 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide is sourced from PubChem (CID 103816384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).