2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile

C9H13F3N2O — CID 63906291

IUPAC2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESCNC(C#N)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2O/c1-14-8(4-13,7-2-3-7)5-15-6-9(10,11)12/h7,14H,2-3,5-6H2,1H3
InChIKeyZNVGLVHOJDMSSC-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.46
Rot. Bonds5

About 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile

2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (PubChem CID 63906291) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
PubChem CID63906291
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESCNC(C#N)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2O/c1-14-8(4-13,7-2-3-7)5-15-6-9(10,11)12/h7,14H,2-3,5-6H2,1H3
InChIKeyZNVGLVHOJDMSSC-UHFFFAOYSA-N
XLogP1.46
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (CID 63906291) is 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is CNC(C#N)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The InChIKey is ZNVGLVHOJDMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-14-8(4-13,7-2-3-7)5-15-6-9(10,11)12/h7,14H,2-3,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile has a molecular weight of 222.21 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is sourced from PubChem (CID 63906291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).