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

C8H13F3N2 — CID 61351759

IUPAC2-(2,2,2-trifluoroethylamino)hexanenitrile
SMILESCCCCC(C#N)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-3-4-7(5-12)13-6-8(9,10)11/h7,13H,2-4,6H2,1H3
InChIKeyGCCABJJWPRNZME-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.22
Rot. Bonds5

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

2-(2,2,2-trifluoroethylamino)hexanenitrile (PubChem CID 61351759) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)hexanenitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)hexanenitrile
PubChem CID61351759
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-(2,2,2-trifluoroethylamino)hexanenitrile
SMILESCCCCC(C#N)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-3-4-7(5-12)13-6-8(9,10)11/h7,13H,2-4,6H2,1H3
InChIKeyGCCABJJWPRNZME-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)hexanenitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)hexanenitrile (CID 61351759) is 2-(2,2,2-trifluoroethylamino)hexanenitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)hexanenitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)hexanenitrile is CCCCC(C#N)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)hexanenitrile?
The InChIKey is GCCABJJWPRNZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-2-3-4-7(5-12)13-6-8(9,10)11/h7,13H,2-4,6H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethylamino)hexanenitrile?
2-(2,2,2-trifluoroethylamino)hexanenitrile has a molecular weight of 194.20 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)hexanenitrile is sourced from PubChem (CID 61351759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).