3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

C7H13F3N2O2 — CID 63828602

IUPAC3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESNCCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5-14-4-3-12-6(13)1-2-11/h1-5,11H2,(H,12,13)
InChIKeyFTGXWDKFCANYNV-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.03
Rot. Bonds6

About 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 63828602) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID63828602
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESNCCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5-14-4-3-12-6(13)1-2-11/h1-5,11H2,(H,12,13)
InChIKeyFTGXWDKFCANYNV-UHFFFAOYSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.03
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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Related Compounds

6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
CID 65291287
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
CID 156792788
2-[4-(aminomethyl)cyclohexyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63834528
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208692
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 43354992
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834599
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
N-(4-iodobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106846214

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 63828602) is 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is NCCC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is FTGXWDKFCANYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)5-14-4-3-12-6(13)1-2-11/h1-5,11H2,(H,12,13).
What are the key properties of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 214.19 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 63828602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).