ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate

C9H14F3NO2 — CID 78977809

IUPACethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-3-5-13(7-9(10,11)12)6-8(14)15-4-2/h3H,1,4-7H2,2H3
InChIKeyFAYMWCUDLSKDMA-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.60
Rot. Bonds6

About ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate

ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 78977809) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
PubChem CID78977809
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nameethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-3-5-13(7-9(10,11)12)6-8(14)15-4-2/h3H,1,4-7H2,2H3
InChIKeyFAYMWCUDLSKDMA-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 106484521
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 140552329
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977833
ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
CID 106456146
ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977780
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-prop-2-enylamino]acetate
CID 79047847

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate (CID 78977809) is ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate is C=CCN(CC(=O)OCC)CC(F)(F)F.
What is the InChIKey of ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is FAYMWCUDLSKDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-3-5-13(7-9(10,11)12)6-8(14)15-4-2/h3H,1,4-7H2,2H3.
What are the key properties of ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate?
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 225.21 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 78977809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).