3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile

C7H11F3N2O — CID 103367745

IUPAC3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile
SMILESCN(CCO)CC(C#N)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-12(2-3-13)5-6(4-11)7(8,9)10/h6,13H,2-3,5H2,1H3
InChIKeyZYOCWOAZPQIGPE-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.61
Rot. Bonds4

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

3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile (PubChem CID 103367745) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile
PubChem CID103367745
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile
SMILESCN(CCO)CC(C#N)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-12(2-3-13)5-6(4-11)7(8,9)10/h6,13H,2-3,5H2,1H3
InChIKeyZYOCWOAZPQIGPE-UHFFFAOYSA-N
XLogP0.61
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile (CID 103367745) is 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile is CN(CCO)CC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile?
The InChIKey is ZYOCWOAZPQIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-12(2-3-13)5-6(4-11)7(8,9)10/h6,13H,2-3,5H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile has a molecular weight of 196.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).