3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile

C7H11F3N2O — CID 103746471

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESN#CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6-12(4-5-13)3-1-2-11/h13H,1,3-6H2
InChIKeyHDNHGQFJLYHPJR-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.76
Rot. Bonds5

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 103746471) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID103746471
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESN#CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6-12(4-5-13)3-1-2-11/h13H,1,3-6H2
InChIKeyHDNHGQFJLYHPJR-UHFFFAOYSA-N
XLogP0.76
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 103746471) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile is N#CCCN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is HDNHGQFJLYHPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)6-12(4-5-13)3-1-2-11/h13H,1,3-6H2.
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 196.17 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 103746471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).