N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide

C9H17F3N2O2 — CID 47031333

IUPACN-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCCN(C)C
InChIInChI=1S/C9H17F3N2O2/c1-7(16-6-9(10,11)12)8(15)13-4-5-14(2)3/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyVAXZKVFGHFEXEL-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.63
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 47031333) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID47031333
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCCN(C)C
InChIInChI=1S/C9H17F3N2O2/c1-7(16-6-9(10,11)12)8(15)13-4-5-14(2)3/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyVAXZKVFGHFEXEL-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 47031333) is N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VAXZKVFGHFEXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(16-6-9(10,11)12)8(15)13-4-5-14(2)3/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 47031333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).