2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate

C9H12F3NO4 — CID 88879039

IUPAC2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO4/c1-2-7(14)17-6-5-16-4-3-13-8(15)9(10,11)12/h2H,1,3-6H2,(H,13,15)
InChIKeyJOBPJELNXNTJOD-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.41
Rot. Bonds7

About 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate

2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate (PubChem CID 88879039) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate
PubChem CID88879039
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO4/c1-2-7(14)17-6-5-16-4-3-13-8(15)9(10,11)12/h2H,1,3-6H2,(H,13,15)
InChIKeyJOBPJELNXNTJOD-UHFFFAOYSA-N
XLogP0.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-acryloyloxyethylacrylamide
CID 15084870
2-Acetamidoethyl prop-2-enoate
CID 23089005
2-(2,2,3,3,4,4,4-Heptafluorobutanoylamino)ethyl prop-2-enoate
CID 87599157
2-[2-[(2-Fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate
CID 89417478
2-[[2-Acetyloxy-3-(2,2,3,3-tetrafluoropropoxy)propoxy]carbonylamino]ethyl prop-2-enoate
CID 89834099
2-(4,4,4-Trifluorobutoxycarbonylamino)ethyl prop-2-enoate
CID 89987998
2-(Fluoromethoxycarbonylamino)ethyl prop-2-enoate
CID 117784856
2-(2-Fluoroethoxycarbonylamino)ethyl prop-2-enoate
CID 117784857
1-(2-Prop-2-enoyloxyethylcarbamoyloxy)propan-2-yl 2,3,3,3-tetrafluoropropanoate
CID 121441361
4-O-fluoro 1-O-[2-(prop-2-enoylamino)ethyl] (E)-but-2-enedioate
CID 145264547
2-(2,2-Difluoropropylamino)ethyl prop-2-enoate
CID 157155079
bis[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-but-2-enedioate
CID 55355525

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate (CID 88879039) is 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate?
The InChIKey is JOBPJELNXNTJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c1-2-7(14)17-6-5-16-4-3-13-8(15)9(10,11)12/h2H,1,3-6H2,(H,13,15).
What are the key properties of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate?
2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate has a molecular weight of 255.19 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 88879039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).