5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile

C9H15F3N2O — CID 63828585

IUPAC5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile
SMILESN#CCCCCNCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8-15-7-6-14-5-3-1-2-4-13/h14H,1-3,5-8H2
InChIKeyGKNYKTSRQNLNJX-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.85
Rot. Bonds8

About 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile

5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile (PubChem CID 63828585) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile
PubChem CID63828585
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile
SMILESN#CCCCCNCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8-15-7-6-14-5-3-1-2-4-13/h14H,1-3,5-8H2
InChIKeyGKNYKTSRQNLNJX-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.85
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

5-(3,3,3-trifluoropropylamino)pentanenitrile
CID 63226133
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614
4-(2,2,2-trifluoroethoxyamino)butanenitrile
CID 82722741
3-[2-(2-cyanoethoxy)ethylamino]propanenitrile
CID 13446506
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545191
5-(2-methylsulfanylethylamino)pentanenitrile
CID 60695440
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile?
The IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile (CID 63828585) is 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile is N#CCCCCNCCOCC(F)(F)F.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile?
The InChIKey is GKNYKTSRQNLNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)8-15-7-6-14-5-3-1-2-4-13/h14H,1-3,5-8H2.
What are the key properties of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile?
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile has a molecular weight of 224.23 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile is sourced from PubChem (CID 63828585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).