2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile

C8H13F3N2O — CID 64728179

IUPAC2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCC(CC(C)(N)C#N)OCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6(3-7(2,13)4-12)14-5-8(9,10)11/h6H,3,5,13H2,1-2H3
InChIKeyGMFIZUKQYXNZKD-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile

2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile (PubChem CID 64728179) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
PubChem CID64728179
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCC(CC(C)(N)C#N)OCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6(3-7(2,13)4-12)14-5-8(9,10)11/h6H,3,5,13H2,1-2H3
InChIKeyGMFIZUKQYXNZKD-UHFFFAOYSA-N
XLogP1.58
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile (CID 64728179) is 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile is CC(CC(C)(N)C#N)OCC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The InChIKey is GMFIZUKQYXNZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6(3-7(2,13)4-12)14-5-8(9,10)11/h6H,3,5,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile has a molecular weight of 210.20 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile is sourced from PubChem (CID 64728179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).