N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide

C8H13F3N2O2 — CID 103209728

IUPACN-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC/C=C/CNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-15-5-7(14)13-4-2-1-3-12/h1-2H,3-6,12H2,(H,13,14)/b2-1+
InChIKeyJXOLGBZEBQVVED-OWOJBTEDSA-N
MW226.20 g/mol
LogP0.20
Rot. Bonds6

About N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209728) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209728
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC/C=C/CNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-15-5-7(14)13-4-2-1-3-12/h1-2H,3-6,12H2,(H,13,14)/b2-1+
InChIKeyJXOLGBZEBQVVED-OWOJBTEDSA-N
XLogP0.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoropropoxy)-N-prop-2-enylpropanamide
CID 53796591
2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
CID 58057340
2-(fluoromethoxy)-N-prop-2-enylacetamide
CID 88551604
CID 166107318
CID 166107318
N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide
CID 170368251
2,2-difluoro-N-prop-2-enyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetamide
CID 172092844
2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79280589
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985433
(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide
CID 103082573
N-[(E)-4-chlorobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208699
N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208991
N-(2-methylprop-2-enyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104955616

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209728) is N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide is NC/C=C/CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JXOLGBZEBQVVED-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6-15-5-7(14)13-4-2-1-3-12/h1-2H,3-6,12H2,(H,13,14)/b2-1+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 226.20 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).