1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate

C9H16F3NO3 — CID 103489051

IUPAC1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOCC(C)OC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-15-5-7(2)16-8(14)4-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeySEEYUSSLOJCSIR-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.11
Rot. Bonds7

About 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate

1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 103489051) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID103489051
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOCC(C)OC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-15-5-7(2)16-8(14)4-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeySEEYUSSLOJCSIR-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596014
Iminodiacetic acid dii-propyl ester
CID 9990913
Glycine, N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 546365
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-(methylamino)acetate
CID 132215322
[2-[2-(2-Methoxyethoxy)ethylamino]acetyl] 2,2,2-trifluoroethaneperoxoate
CID 140174694
Butyl 2-(2,2,2-trifluoroethylamino)acetate
CID 60680145
Ethyl 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetate
CID 61490309
Ethyl 2-[3-(2,2,2-trifluoroethoxy)propylamino]acetate
CID 61491416
Propan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
CID 61670636
Propan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
CID 61674432
Propan-2-yl 2-(3,3,3-trifluoropropylamino)acetate
CID 63225959
Butyl 2-(3,3,3-trifluoropropylamino)acetate
CID 63226825

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate (CID 103489051) is 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate is CCOCC(C)OC(=O)CNCC(F)(F)F.
What is the InChIKey of 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is SEEYUSSLOJCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-3-15-5-7(2)16-8(14)4-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate?
1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 243.22 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 103489051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).