2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

C11H18F3NO5 — CID 61327104

IUPAC2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCCOCCCN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C11H18F3NO5/c1-2-19-5-3-4-15(8-11(12,13)14)9(16)6-20-7-10(17)18/h2-8H2,1H3,(H,17,18)
InChIKeyCUWUBBUFGXIKCN-UHFFFAOYSA-N
MW301.26 g/mol
LogP0.91
Rot. Bonds10

About 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61327104) has the molecular formula C11H18F3NO5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61327104
Molecular FormulaC11H18F3NO5
Molecular Weight301.26 g/mol
Exact Mass301.11
IUPAC Name2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCCOCCCN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C11H18F3NO5/c1-2-19-5-3-4-15(8-11(12,13)14)9(16)6-20-7-10(17)18/h2-8H2,1H3,(H,17,18)
InChIKeyCUWUBBUFGXIKCN-UHFFFAOYSA-N
XLogP0.91
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (CID 61327104) is 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is CCOCCCN(CC(F)(F)F)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is CUWUBBUFGXIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO5/c1-2-19-5-3-4-15(8-11(12,13)14)9(16)6-20-7-10(17)18/h2-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 301.26 g/mol, XLogP of 0.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).