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

C8H10F6N2O — CID 103372608

IUPAC3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile
SMILESN#CC(CN(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O/c9-7(10,11)5-16(1-2-17)4-6(3-15)8(12,13)14/h6,17H,1-2,4-5H2
InChIKeyYJVOJSBUEXCMGK-UHFFFAOYSA-N
MW264.17 g/mol
LogP1.55
Rot. Bonds5

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

3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile (PubChem CID 103372608) has the molecular formula C8H10F6N2O and a molecular weight of 264.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile
PubChem CID103372608
Molecular FormulaC8H10F6N2O
Molecular Weight264.17 g/mol
Exact Mass264.07
IUPAC Name3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile
SMILESN#CC(CN(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O/c9-7(10,11)5-16(1-2-17)4-6(3-15)8(12,13)14/h6,17H,1-2,4-5H2
InChIKeyYJVOJSBUEXCMGK-UHFFFAOYSA-N
XLogP1.55
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 51.55
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(2,2,2-trifluoroethyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile (CID 103372608) is 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile is N#CC(CN(CCO)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile?
The InChIKey is YJVOJSBUEXCMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O/c9-7(10,11)5-16(1-2-17)4-6(3-15)8(12,13)14/h6,17H,1-2,4-5H2.
What are the key properties of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanenitrile has a molecular weight of 264.17 g/mol, XLogP of 1.55, 5 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(2,2,2-trifluoroethyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103372608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).