2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile

C7H11F3N2 — CID 60892135

IUPAC2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCC(C#N)CN(C)CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6(3-11)4-12(2)5-7(8,9)10/h6H,4-5H2,1-2H3
InChIKeyISMURZCEVFGIKA-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.64
Rot. Bonds3

About 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile

2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile (PubChem CID 60892135) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
PubChem CID60892135
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
SMILESCC(C#N)CN(C)CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6(3-11)4-12(2)5-7(8,9)10/h6H,4-5H2,1-2H3
InChIKeyISMURZCEVFGIKA-UHFFFAOYSA-N
XLogP1.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-Fluoropropyl(methyl)amino]propanenitrile
CID 44521776
3-(Dimethylamino)-3,3-difluoropropanenitrile
CID 87849608
N,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 89295063
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
N-ethyl-3,3,3-trifluoro-N,2-dimethylpropan-1-amine
CID 131213511
3-[Methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 28387177
3-[Methyl(3,3,3-trifluoropropyl)amino]propanenitrile
CID 60684504
3-[2-Methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile
CID 60691253
4-[Methyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 60891185
3-[2,2-Difluoroethyl(methyl)amino]propanenitrile
CID 60923077
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanenitrile
CID 61517443
2-[Methyl(3,3,3-trifluoropropyl)amino]acetonitrile
CID 61517958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile (CID 60892135) is 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile is CC(C#N)CN(C)CC(F)(F)F.
What is the InChIKey of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
The InChIKey is ISMURZCEVFGIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-6(3-11)4-12(2)5-7(8,9)10/h6H,4-5H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile?
2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile has a molecular weight of 180.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile is sourced from PubChem (CID 60892135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).