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

C6H9F3N2 — CID 60997695

IUPAC2-(2,2,2-trifluoroethylamino)butanenitrile
SMILESCCC(C#N)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-5(3-10)11-4-6(7,8)9/h5,11H,2,4H2,1H3
InChIKeyZYKNJYVLDSXWNL-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.44
Rot. Bonds3

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

2-(2,2,2-trifluoroethylamino)butanenitrile (PubChem CID 60997695) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)butanenitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)butanenitrile
PubChem CID60997695
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2-(2,2,2-trifluoroethylamino)butanenitrile
SMILESCCC(C#N)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-5(3-10)11-4-6(7,8)9/h5,11H,2,4H2,1H3
InChIKeyZYKNJYVLDSXWNL-UHFFFAOYSA-N
XLogP1.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Propan-2-yl)amino]propanenitrile
CID 136494
3,3'-Azanediyldibutanenitrile
CID 56035
3-(Methylamino)butanenitrile
CID 12438035
2-(Methylamino)butanenitrile
CID 13062961
3-((2,2,2-Trifluoroethyl)amino)propanenitrile hydrochloride
CID 50988608
3-(Cyclopropylamino)-4,4,4-trifluorobutanenitrile
CID 132327968
2-(Propylamino)propanenitrile
CID 12724398
2-(Ethylamino)butanenitrile
CID 13758360
3-Fluoro-2-(methylamino)butanenitrile
CID 338883
3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 20600813
2-(Tert-butylamino)-4,4,5,5,5-pentafluoropentanenitrile
CID 20825451
(Butan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24705093

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)butanenitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)butanenitrile (CID 60997695) is 2-(2,2,2-trifluoroethylamino)butanenitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)butanenitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)butanenitrile is CCC(C#N)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)butanenitrile?
The InChIKey is ZYKNJYVLDSXWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-5(3-10)11-4-6(7,8)9/h5,11H,2,4H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethylamino)butanenitrile?
2-(2,2,2-trifluoroethylamino)butanenitrile has a molecular weight of 166.15 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)butanenitrile is sourced from PubChem (CID 60997695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).