5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile

C9H15F3N2O — CID 103856782

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESN#CCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8-14(6-7-15)5-3-1-2-4-13/h15H,1-3,5-8H2
InChIKeyWCFMNMKUXQMEKE-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.54
Rot. Bonds7

About 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile (PubChem CID 103856782) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile
PubChem CID103856782
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESN#CCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8-14(6-7-15)5-3-1-2-4-13/h15H,1-3,5-8H2
InChIKeyWCFMNMKUXQMEKE-UHFFFAOYSA-N
XLogP1.54
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile
CID 64414705
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]propanenitrile
CID 103718879
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 103746471
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 103856765
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanenitrile
CID 107479650
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanenitrile
CID 107479665
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanenitrile
CID 107479678
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanenitrile
CID 107479682
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanenitrile
CID 107479684
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 107479696
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 107479700
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 107479705

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile (CID 103856782) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile is N#CCCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The InChIKey is WCFMNMKUXQMEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)8-14(6-7-15)5-3-1-2-4-13/h15H,1-3,5-8H2.
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile has a molecular weight of 224.23 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanenitrile is sourced from PubChem (CID 103856782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).