N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide

C8H13F3N2O — CID 115692181

IUPACN-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=CC(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-3-6(2)13-7(14)4-12-5-8(9,10)11/h3,6,12H,1,4-5H2,2H3,(H,13,14)
InChIKeyRZEAAOSMGIPOAL-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.83
Rot. Bonds5

About N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide

N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115692181) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115692181
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=CC(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-3-6(2)13-7(14)4-12-5-8(9,10)11/h3,6,12H,1,4-5H2,2H3,(H,13,14)
InChIKeyRZEAAOSMGIPOAL-UHFFFAOYSA-N
XLogP0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.83
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

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
CID 10535774
2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide
CID 134894143
2-amino-N-[(E)-5-amino-1,1-difluoropent-3-en-2-yl]acetamide
CID 20466306
2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide
CID 54123269
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-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide
CID 88746935
N-[3-[[(Z)-4,4,4-trifluorobut-1-enyl]amino]prop-1-en-2-yl]acetamide
CID 147101839
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
N,N-bis(prop-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914688

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 115692181) is N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide is C=CC(C)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RZEAAOSMGIPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-3-6(2)13-7(14)4-12-5-8(9,10)11/h3,6,12H,1,4-5H2,2H3,(H,13,14).
What are the key properties of N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide?
N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 210.20 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115692181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).