2-(2,2,2-trifluoroethylamino)pentanenitrile

C7H11F3N2 — CID 57313657

IUPAC2-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCCCC(C#N)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-3-6(4-11)12-5-7(8,9)10/h6,12H,2-3,5H2,1H3
InChIKeyBFVXWMQUGKFTGM-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.83
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)pentanenitrile

2-(2,2,2-trifluoroethylamino)pentanenitrile (PubChem CID 57313657) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)pentanenitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)pentanenitrile
PubChem CID57313657
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name2-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCCCC(C#N)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-3-6(4-11)12-5-7(8,9)10/h6,12H,2-3,5H2,1H3
InChIKeyBFVXWMQUGKFTGM-UHFFFAOYSA-N
XLogP1.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.83
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)pentanenitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)pentanenitrile (CID 57313657) is 2-(2,2,2-trifluoroethylamino)pentanenitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)pentanenitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)pentanenitrile is CCCC(C#N)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)pentanenitrile?
The InChIKey is BFVXWMQUGKFTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-2-3-6(4-11)12-5-7(8,9)10/h6,12H,2-3,5H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethylamino)pentanenitrile?
2-(2,2,2-trifluoroethylamino)pentanenitrile has a molecular weight of 180.17 g/mol, XLogP of 1.83, 4 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)pentanenitrile is sourced from PubChem (CID 57313657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).