2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile

C12H19F3N2O — CID 66274624

IUPAC2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCCCNC(C#N)(COC(C)C(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N2O/c1-3-6-17-11(7-16,10-4-5-10)8-18-9(2)12(13,14)15/h9-10,17H,3-6,8H2,1-2H3
InChIKeyUSNRDAUTBPORBO-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.63
Rot. Bonds7

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

2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (PubChem CID 66274624) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
PubChem CID66274624
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCCCNC(C#N)(COC(C)C(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N2O/c1-3-6-17-11(7-16,10-4-5-10)8-18-9(2)12(13,14)15/h9-10,17H,3-6,8H2,1-2H3
InChIKeyUSNRDAUTBPORBO-UHFFFAOYSA-N
XLogP2.63
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (CID 66274624) is 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is CCCNC(C#N)(COC(C)C(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The InChIKey is USNRDAUTBPORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-3-6-17-11(7-16,10-4-5-10)8-18-9(2)12(13,14)15/h9-10,17H,3-6,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile has a molecular weight of 264.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is sourced from PubChem (CID 66274624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).