2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C9H15F3N2O2 — CID 79280589

IUPAC2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESC=CCNCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-2-3-13-6-8(15)14-4-5-16-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15)
InChIKeyDTUZDUSXTDLHCM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.46
Rot. Bonds8

About 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 79280589) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID79280589
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESC=CCNCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-2-3-13-6-8(15)14-4-5-16-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15)
InChIKeyDTUZDUSXTDLHCM-UHFFFAOYSA-N
XLogP0.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 79280589) is 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is C=CCNCC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is DTUZDUSXTDLHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-3-13-6-8(15)14-4-5-16-7-9(10,11)12/h2,13H,1,3-7H2,(H,14,15).
What are the key properties of 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 79280589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).