2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol

C8H16F3NO3 — CID 62498441

IUPAC2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO3/c9-8(10,11)7-15-5-2-12-1-4-14-6-3-13/h12-13H,1-7H2
InChIKeySVHDNNWYEQMAHD-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.16
Rot. Bonds9

About 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol

2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol (PubChem CID 62498441) has the molecular formula C8H16F3NO3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol
PubChem CID62498441
Molecular FormulaC8H16F3NO3
Molecular Weight231.21 g/mol
Exact Mass231.11
IUPAC Name2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO3/c9-8(10,11)7-15-5-2-12-1-4-14-6-3-13/h12-13H,1-7H2
InChIKeySVHDNNWYEQMAHD-UHFFFAOYSA-N
XLogP0.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
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-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol (CID 62498441) is 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol is OCCOCCNCCOCC(F)(F)F.
What is the InChIKey of 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol?
The InChIKey is SVHDNNWYEQMAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3/c9-8(10,11)7-15-5-2-12-1-4-14-6-3-13/h12-13H,1-7H2.
What are the key properties of 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol?
2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol has a molecular weight of 231.21 g/mol, XLogP of 0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 62498441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).