2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile

C8H13F3N2 — CID 60997464

IUPAC2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile
SMILESCCC(C#N)(CC)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-7(4-2,5-12)13-6-8(9,10)11/h13H,3-4,6H2,1-2H3
InChIKeyHWXKJKYINATCEZ-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.22
Rot. Bonds4

About 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile

2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile (PubChem CID 60997464) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile
PubChem CID60997464
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile
SMILESCCC(C#N)(CC)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-7(4-2,5-12)13-6-8(9,10)11/h13H,3-4,6H2,1-2H3
InChIKeyHWXKJKYINATCEZ-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-(2,2,2-trifluoroethylamino)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-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile?
The IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile (CID 60997464) is 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile?
The canonical SMILES for 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile is CCC(C#N)(CC)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile?
The InChIKey is HWXKJKYINATCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-3-7(4-2,5-12)13-6-8(9,10)11/h13H,3-4,6H2,1-2H3.
What are the key properties of 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile?
2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile has a molecular weight of 194.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2,2,2-trifluoroethylamino)butanenitrile is sourced from PubChem (CID 60997464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).