2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile

C8H10F5NO2 — CID 175462205

IUPAC2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile
SMILESCC(C#N)OCCOC(F)(F)C(F)C(F)F
InChIInChI=1S/C8H10F5NO2/c1-5(4-14)15-2-3-16-8(12,13)6(9)7(10)11/h5-7H,2-3H2,1H3
InChIKeyVTKJVGRNSXSPDR-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.13
Rot. Bonds7

About 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile

2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile (PubChem CID 175462205) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile
PubChem CID175462205
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile
SMILESCC(C#N)OCCOC(F)(F)C(F)C(F)F
InChIInChI=1S/C8H10F5NO2/c1-5(4-14)15-2-3-16-8(12,13)6(9)7(10)11/h5-7H,2-3H2,1H3
InChIKeyVTKJVGRNSXSPDR-UHFFFAOYSA-N
XLogP2.13
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile?
The IUPAC name of 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile (CID 175462205) is 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile.
What is the SMILES notation for 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile?
The canonical SMILES for 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile is CC(C#N)OCCOC(F)(F)C(F)C(F)F.
What is the InChIKey of 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile?
The InChIKey is VTKJVGRNSXSPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO2/c1-5(4-14)15-2-3-16-8(12,13)6(9)7(10)11/h5-7H,2-3H2,1H3.
What are the key properties of 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile?
2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile has a molecular weight of 247.16 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,2,3,3-pentafluoropropoxy)ethoxy]propanenitrile is sourced from PubChem (CID 175462205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).