2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile

C12H19F3N2O — CID 66274847

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCC(C)NC(C#N)(COC(C)C(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N2O/c1-8(2)17-11(6-16,10-4-5-10)7-18-9(3)12(13,14)15/h8-10,17H,4-5,7H2,1-3H3
InChIKeyUHYRZVCKHXWWGX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.62
Rot. Bonds6

About 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile

2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (PubChem CID 66274847) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
PubChem CID66274847
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCC(C)NC(C#N)(COC(C)C(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N2O/c1-8(2)17-11(6-16,10-4-5-10)7-18-9(3)12(13,14)15/h8-10,17H,4-5,7H2,1-3H3
InChIKeyUHYRZVCKHXWWGX-UHFFFAOYSA-N
XLogP2.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (CID 66274847) is 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is CC(C)NC(C#N)(COC(C)C(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The InChIKey is UHYRZVCKHXWWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(2)17-11(6-16,10-4-5-10)7-18-9(3)12(13,14)15/h8-10,17H,4-5,7H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
2-cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile has a molecular weight of 264.29 g/mol, XLogP of 2.62, 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-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is sourced from PubChem (CID 66274847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).