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

C10H17F3N2O — CID 64725787

IUPAC2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCCNC(C)(C#N)CC(C)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-4-15-9(3,6-14)5-8(2)16-7-10(11,12)13/h8,15H,4-5,7H2,1-3H3
InChIKeyJOTYAPNWXVHHIO-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.24
Rot. Bonds6

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

2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile (PubChem CID 64725787) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
PubChem CID64725787
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCCNC(C)(C#N)CC(C)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-4-15-9(3,6-14)5-8(2)16-7-10(11,12)13/h8,15H,4-5,7H2,1-3H3
InChIKeyJOTYAPNWXVHHIO-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile (CID 64725787) is 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile is CCNC(C)(C#N)CC(C)OCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The InChIKey is JOTYAPNWXVHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-4-15-9(3,6-14)5-8(2)16-7-10(11,12)13/h8,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
2-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile has a molecular weight of 238.25 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-(ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile is sourced from PubChem (CID 64725787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).