5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile

C10H18F2N2O — CID 106804900

IUPAC5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCOCC(F)F)NC
InChIInChI=1S/C10H18F2N2O/c1-3-10(8-13,14-2)5-4-6-15-7-9(11)12/h9,14H,3-7H2,1-2H3
InChIKeyJDHLBTOVUJBIAX-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.94
Rot. Bonds8

About 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile

5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106804900) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106804900
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCOCC(F)F)NC
InChIInChI=1S/C10H18F2N2O/c1-3-10(8-13,14-2)5-4-6-15-7-9(11)12/h9,14H,3-7H2,1-2H3
InChIKeyJDHLBTOVUJBIAX-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.94
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

2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
CID 106804902
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile
CID 106804865
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
2-ethyl-2-(propan-2-ylamino)-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 106804907
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
CID 106804620
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-ethyl-2-(methylamino)-5-pentylsulfanylpentanenitrile
CID 107754893
5-(4-butan-2-ylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 107667825
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile (CID 106804900) is 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile is CCC(C#N)(CCCOCC(F)F)NC.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is JDHLBTOVUJBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-3-10(8-13,14-2)5-4-6-15-7-9(11)12/h9,14H,3-7H2,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 220.26 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106804900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).