4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile

C10H17F3N2O — CID 60997688

IUPAC4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCOC(C)(C)CC(C)(C#N)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-8(2,16-4)5-9(3,6-14)15-7-10(11,12)13/h15H,5,7H2,1-4H3
InChIKeyAJRYHEMXDGOKRY-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.24
Rot. Bonds5

About 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile

4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile (PubChem CID 60997688) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
PubChem CID60997688
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCOC(C)(C)CC(C)(C#N)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-8(2,16-4)5-9(3,6-14)15-7-10(11,12)13/h15H,5,7H2,1-4H3
InChIKeyAJRYHEMXDGOKRY-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile (CID 60997688) is 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile is COC(C)(C)CC(C)(C#N)NCC(F)(F)F.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
The InChIKey is AJRYHEMXDGOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-8(2,16-4)5-9(3,6-14)15-7-10(11,12)13/h15H,5,7H2,1-4H3.
What are the key properties of 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile has a molecular weight of 238.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile is sourced from PubChem (CID 60997688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).