N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O — CID 103528167

IUPACN-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)=CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(2)3-4-14-8(15)5-13-6-9(10,11)12/h3,13H,4-6H2,1-2H3,(H,14,15)
InChIKeyAHEUOGAXLWIYJM-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.22
Rot. Bonds5

About N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103528167) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103528167
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)=CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(2)3-4-14-8(15)5-13-6-9(10,11)12/h3,13H,4-6H2,1-2H3,(H,14,15)
InChIKeyAHEUOGAXLWIYJM-UHFFFAOYSA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide
CID 54448225
2-amino-N-[(Z)-3,4,4-trifluorobut-2-enyl]propanamide
CID 88317782
2-[[(2Z)-3-methyl-2-(trifluoromethyl)penta-2,4-dienyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 169610916
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089174
2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647098
N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide
CID 63226818
2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78787491
N,N-bis(prop-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914688
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914751
N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914895
N-ethyl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958513
N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79277924

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103528167) is N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)=CCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is AHEUOGAXLWIYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(2)3-4-14-8(15)5-13-6-9(10,11)12/h3,13H,4-6H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103528167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).