2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile

C10H16F2N2O — CID 82006458

IUPAC2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(COCC(F)F)C1CC1
InChIInChI=1S/C10H16F2N2O/c1-2-14-10(6-13,8-3-4-8)7-15-5-9(11)12/h8-9,14H,2-5,7H2,1H3
InChIKeyRDPVAIWAKODWDS-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.55
Rot. Bonds7

About 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile (PubChem CID 82006458) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile
PubChem CID82006458
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(COCC(F)F)C1CC1
InChIInChI=1S/C10H16F2N2O/c1-2-14-10(6-13,8-3-4-8)7-15-5-9(11)12/h8-9,14H,2-5,7H2,1H3
InChIKeyRDPVAIWAKODWDS-UHFFFAOYSA-N
XLogP1.55
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.55
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-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile (CID 82006458) is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile is CCNC(C#N)(COCC(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile?
The InChIKey is RDPVAIWAKODWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-2-14-10(6-13,8-3-4-8)7-15-5-9(11)12/h8-9,14H,2-5,7H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile has a molecular weight of 218.25 g/mol, XLogP of 1.55, 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-(ethylamino)propanenitrile is sourced from PubChem (CID 82006458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).