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

C11H17F3N2O — CID 63906714

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESCC(C)NC(C#N)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O/c1-8(2)16-10(5-15,9-3-4-9)6-17-7-11(12,13)14/h8-9,16H,3-4,6-7H2,1-2H3
InChIKeyZKKNNKCGJUAJOB-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.24
Rot. Bonds6

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

2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (PubChem CID 63906714) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
PubChem CID63906714
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
SMILESCC(C)NC(C#N)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O/c1-8(2)16-10(5-15,9-3-4-9)6-17-7-11(12,13)14/h8-9,16H,3-4,6-7H2,1-2H3
InChIKeyZKKNNKCGJUAJOB-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (CID 63906714) is 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is CC(C)NC(C#N)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
The InChIKey is ZKKNNKCGJUAJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(2)16-10(5-15,9-3-4-9)6-17-7-11(12,13)14/h8-9,16H,3-4,6-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?
2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile has a molecular weight of 250.26 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is sourced from PubChem (CID 63906714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).