N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O — CID 115628435

IUPACN-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC/C=C/CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-3-4-5-14-8(15)6-13-7-9(10,11)12/h2-3,13H,4-7H2,1H3,(H,14,15)/b3-2+
InChIKeyXJAAXWJSSNHAFR-NSCUHMNNSA-N
MW224.23 g/mol
LogP1.22
Rot. Bonds6

About N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115628435) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115628435
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC/C=C/CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-3-4-5-14-8(15)6-13-7-9(10,11)12/h2-3,13H,4-7H2,1H3,(H,14,15)/b3-2+
InChIKeyXJAAXWJSSNHAFR-NSCUHMNNSA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 115628435) is N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide is C/C=C/CCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XJAAXWJSSNHAFR-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-3-4-5-14-8(15)6-13-7-9(10,11)12/h2-3,13H,4-7H2,1H3,(H,14,15)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115628435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).