2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile

C8H11F3N2 — CID 106212238

IUPAC2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile
SMILESCC(C#N)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2/c1-6(4-12)5-13-7(2-3-7)8(9,10)11/h6,13H,2-3,5H2,1H3
InChIKeyHBNTWJYQXLJOHO-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile

2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile (PubChem CID 106212238) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile
PubChem CID106212238
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile
SMILESCC(C#N)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2/c1-6(4-12)5-13-7(2-3-7)8(9,10)11/h6,13H,2-3,5H2,1H3
InChIKeyHBNTWJYQXLJOHO-UHFFFAOYSA-N
XLogP1.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile (CID 106212238) is 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile is CC(C#N)CNC1(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile?
The InChIKey is HBNTWJYQXLJOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-6(4-12)5-13-7(2-3-7)8(9,10)11/h6,13H,2-3,5H2,1H3.
What are the key properties of 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile?
2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile has a molecular weight of 192.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanenitrile is sourced from PubChem (CID 106212238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).