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

C11H15F3N2O — CID 63906713

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESN#CC(COCC(F)(F)F)(NC1CC1)C1CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)7-17-6-10(5-15,8-1-2-8)16-9-3-4-9/h8-9,16H,1-4,6-7H2
InChIKeyWKRRCGWPGMIORB-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.99
Rot. Bonds6

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

2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (PubChem CID 63906713) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
PubChem CID63906713
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESN#CC(COCC(F)(F)F)(NC1CC1)C1CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)7-17-6-10(5-15,8-1-2-8)16-9-3-4-9/h8-9,16H,1-4,6-7H2
InChIKeyWKRRCGWPGMIORB-UHFFFAOYSA-N
XLogP1.99
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (CID 63906713) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is N#CC(COCC(F)(F)F)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The InChIKey is WKRRCGWPGMIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)7-17-6-10(5-15,8-1-2-8)16-9-3-4-9/h8-9,16H,1-4,6-7H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile has a molecular weight of 248.25 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is sourced from PubChem (CID 63906713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).