2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile

C10H17F3N2 — CID 63951450

IUPAC2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile
SMILESCCCCC(C#N)(CC)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-5-6-9(4-2,7-14)15-8-10(11,12)13/h15H,3-6,8H2,1-2H3
InChIKeyBWGCKTAPISCXKX-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.00
Rot. Bonds6

About 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile

2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile (PubChem CID 63951450) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile
PubChem CID63951450
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile
SMILESCCCCC(C#N)(CC)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-5-6-9(4-2,7-14)15-8-10(11,12)13/h15H,3-6,8H2,1-2H3
InChIKeyBWGCKTAPISCXKX-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile?
The IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile (CID 63951450) is 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile.
What is the SMILES notation for 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile?
The canonical SMILES for 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile is CCCCC(C#N)(CC)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile?
The InChIKey is BWGCKTAPISCXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-5-6-9(4-2,7-14)15-8-10(11,12)13/h15H,3-6,8H2,1-2H3.
What are the key properties of 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile?
2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile has a molecular weight of 222.25 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2,2,2-trifluoroethylamino)hexanenitrile is sourced from PubChem (CID 63951450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).