4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile

C10H17F3N2O — CID 103857835

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-9(2,7-14)3-4-15(5-6-16)8-10(11,12)13/h16H,3-6,8H2,1-2H3
InChIKeyARGPIJVEKZWESF-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.78
Rot. Bonds6

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 103857835) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile
PubChem CID103857835
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-9(2,7-14)3-4-15(5-6-16)8-10(11,12)13/h16H,3-6,8H2,1-2H3
InChIKeyARGPIJVEKZWESF-UHFFFAOYSA-N
XLogP1.78
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile 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 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile (CID 103857835) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is ARGPIJVEKZWESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(2,7-14)3-4-15(5-6-16)8-10(11,12)13/h16H,3-6,8H2,1-2H3.
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 238.25 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 103857835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).