2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate

C9H16F3NO3 — CID 79258201

IUPAC2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCCOCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-3-15-4-5-16-8(14)6-13-7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyZOZIQNOYOVBAMC-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.11
Rot. Bonds8

About 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate

2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 79258201) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Name2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID79258201
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCCOCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-3-15-4-5-16-8(14)6-13-7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyZOZIQNOYOVBAMC-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetate
CID 106175952
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2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
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1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
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N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
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CID 91693785
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Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate (CID 79258201) is 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate is CCCOCCOC(=O)CNCC(F)(F)F.
What is the InChIKey of 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is ZOZIQNOYOVBAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-2-3-15-4-5-16-8(14)6-13-7-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 243.22 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 79258201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).