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

C10H15F3N2O — CID 63906496

IUPAC2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESCCNC(C#N)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O/c1-2-15-9(5-14,8-3-4-8)6-16-7-10(11,12)13/h8,15H,2-4,6-7H2,1H3
InChIKeyMWOOGCNVKXFLFN-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.85
Rot. Bonds6

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

2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (PubChem CID 63906496) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
PubChem CID63906496
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESCCNC(C#N)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O/c1-2-15-9(5-14,8-3-4-8)6-16-7-10(11,12)13/h8,15H,2-4,6-7H2,1H3
InChIKeyMWOOGCNVKXFLFN-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (CID 63906496) is 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is CCNC(C#N)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The InChIKey is MWOOGCNVKXFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-15-9(5-14,8-3-4-8)6-16-7-10(11,12)13/h8,15H,2-4,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile has a molecular weight of 236.24 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is sourced from PubChem (CID 63906496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).