2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile

C11H17F5N2O — CID 106804865

IUPAC2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile
SMILESCCC(C#N)(CCCOCC(F)(F)C(F)(F)F)NC
InChIInChI=1S/C11H17F5N2O/c1-3-9(7-17,18-2)5-4-6-19-8-10(12,13)11(14,15)16/h18H,3-6,8H2,1-2H3
InChIKeyDIVTWMZLTRLDPG-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.87
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile

2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile (PubChem CID 106804865) has the molecular formula C11H17F5N2O and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile
PubChem CID106804865
Molecular FormulaC11H17F5N2O
Molecular Weight288.26 g/mol
Exact Mass288.13
IUPAC Name2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile
SMILESCCC(C#N)(CCCOCC(F)(F)C(F)(F)F)NC
InChIInChI=1S/C11H17F5N2O/c1-3-9(7-17,18-2)5-4-6-19-8-10(12,13)11(14,15)16/h18H,3-6,8H2,1-2H3
InChIKeyDIVTWMZLTRLDPG-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
2-ethyl-2-(propan-2-ylamino)-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 106804907
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
CID 106804620
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile
CID 106804826
5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
CID 106804922

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile (CID 106804865) is 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile is CCC(C#N)(CCCOCC(F)(F)C(F)(F)F)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile?
The InChIKey is DIVTWMZLTRLDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5N2O/c1-3-9(7-17,18-2)5-4-6-19-8-10(12,13)11(14,15)16/h18H,3-6,8H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile?
2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile has a molecular weight of 288.26 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile is sourced from PubChem (CID 106804865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).