N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide

C9H17F3N2O2 — CID 61491272

IUPACN-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
SMILESCCNC(=O)CNCCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14-8(15)6-13-4-3-5-16-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyPNXSWXJKFRARFG-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds8

About N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide

N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide (PubChem CID 61491272) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
PubChem CID61491272
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
SMILESCCNC(=O)CNCCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14-8(15)6-13-4-3-5-16-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyPNXSWXJKFRARFG-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The IUPAC name of N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide (CID 61491272) is N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The canonical SMILES for N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide is CCNC(=O)CNCCCOCC(F)(F)F.
What is the InChIKey of N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The InChIKey is PNXSWXJKFRARFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-14-8(15)6-13-4-3-5-16-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15).
What are the key properties of N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide is sourced from PubChem (CID 61491272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).