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

C9H17F3N2O2 — CID 61491006

IUPACN,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
SMILESCN(C)C(=O)CNCCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-14(2)8(15)6-13-4-3-5-16-7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyJAUNEXZMCXQYDT-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.63
Rot. Bonds7

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

N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide (PubChem CID 61491006) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
PubChem CID61491006
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
SMILESCN(C)C(=O)CNCCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-14(2)8(15)6-13-4-3-5-16-7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyJAUNEXZMCXQYDT-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
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,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide (CID 61491006) is N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide is CN(C)C(=O)CNCCCOCC(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The InChIKey is JAUNEXZMCXQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-14(2)8(15)6-13-4-3-5-16-7-9(10,11)12/h13H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide is sourced from PubChem (CID 61491006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).