2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile

C9H15F3N2O — CID 64725189

IUPAC2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCNC(C)(C#N)CC(C)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(15-6-9(10,11)12)4-8(2,5-13)14-3/h7,14H,4,6H2,1-3H3
InChIKeyGCFPZFCUTKLADF-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.85
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile

2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile (PubChem CID 64725189) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
PubChem CID64725189
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCNC(C)(C#N)CC(C)OCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(15-6-9(10,11)12)4-8(2,5-13)14-3/h7,14H,4,6H2,1-3H3
InChIKeyGCFPZFCUTKLADF-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
CID 60997688
2-Methyl-2-(methylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanenitrile
CID 61898193
2-Methyl-2-(methylamino)-5-(2,2,3,3-tetrafluoropropoxy)pentanenitrile
CID 61906040
2-Methyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 61906964
2-(Ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 61906965
2-Methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 61906966
2-Methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)butanenitrile
CID 61925986
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanenitrile
CID 61925987
2-Methyl-4-(2,2,2-trifluoroethylamino)oxane-4-carbonitrile
CID 64110115
2-(Cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64725188
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64725390
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64725590

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile (CID 64725189) is 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile is CNC(C)(C#N)CC(C)OCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The InChIKey is GCFPZFCUTKLADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(15-6-9(10,11)12)4-8(2,5-13)14-3/h7,14H,4,6H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile has a molecular weight of 224.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile is sourced from PubChem (CID 64725189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).