2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol

C7H14F3NO2 — CID 60686282

IUPAC2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol
SMILESOCCN(CCO)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c8-7(9,10)1-2-11(3-5-12)4-6-13/h12-13H,1-6H2
InChIKeyIBDQUKDABBNCTM-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.23
Rot. Bonds6

About 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol

2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol (PubChem CID 60686282) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol
PubChem CID60686282
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol
SMILESOCCN(CCO)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c8-7(9,10)1-2-11(3-5-12)4-6-13/h12-13H,1-6H2
InChIKeyIBDQUKDABBNCTM-UHFFFAOYSA-N
XLogP0.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol (CID 60686282) is 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol is OCCN(CCO)CCC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol?
The InChIKey is IBDQUKDABBNCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c8-7(9,10)1-2-11(3-5-12)4-6-13/h12-13H,1-6H2.
What are the key properties of 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol?
2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol has a molecular weight of 201.19 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]ethanol is sourced from PubChem (CID 60686282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).