2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile

C11H18F2N2O — CID 82006690

IUPAC2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COCC(F)F)C1CC1
InChIInChI=1S/C11H18F2N2O/c1-8(2)15-11(6-14,9-3-4-9)7-16-5-10(12)13/h8-10,15H,3-5,7H2,1-2H3
InChIKeyHSUFWWFBIRKXDU-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.94
Rot. Bonds7

About 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile (PubChem CID 82006690) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
PubChem CID82006690
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COCC(F)F)C1CC1
InChIInChI=1S/C11H18F2N2O/c1-8(2)15-11(6-14,9-3-4-9)7-16-5-10(12)13/h8-10,15H,3-5,7H2,1-2H3
InChIKeyHSUFWWFBIRKXDU-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile (CID 82006690) is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(COCC(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is HSUFWWFBIRKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-8(2)15-11(6-14,9-3-4-9)7-16-5-10(12)13/h8-10,15H,3-5,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 232.27 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 82006690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).