2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile

C11H19F3N2 — CID 65251886

IUPAC2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile
SMILESCC(C)N(CCC(C)(C)C#N)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-9(2)16(8-11(12,13)14)6-5-10(3,4)7-15/h9H,5-6,8H2,1-4H3
InChIKeyZZYIIXWTOZAJHV-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.20
Rot. Bonds5

About 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile

2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile (PubChem CID 65251886) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile
PubChem CID65251886
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile
SMILESCC(C)N(CCC(C)(C)C#N)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-9(2)16(8-11(12,13)14)6-5-10(3,4)7-15/h9H,5-6,8H2,1-4H3
InChIKeyZZYIIXWTOZAJHV-UHFFFAOYSA-N
XLogP3.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile (CID 65251886) is 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile is CC(C)N(CCC(C)(C)C#N)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile?
The InChIKey is ZZYIIXWTOZAJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-9(2)16(8-11(12,13)14)6-5-10(3,4)7-15/h9H,5-6,8H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile?
2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile has a molecular weight of 236.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanenitrile is sourced from PubChem (CID 65251886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).