2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol

C9H19F3N2O — CID 103857829

IUPAC2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN(C)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-13(2)4-3-5-14(6-7-15)8-9(10,11)12/h15H,3-8H2,1-2H3
InChIKeyIBVFYSPNJNCJJL-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.79
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857829) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103857829
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN(C)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-13(2)4-3-5-14(6-7-15)8-9(10,11)12/h15H,3-8H2,1-2H3
InChIKeyIBVFYSPNJNCJJL-UHFFFAOYSA-N
XLogP0.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103857829) is 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol is CN(C)CCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IBVFYSPNJNCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-13(2)4-3-5-14(6-7-15)8-9(10,11)12/h15H,3-8H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 228.26 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).