2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile

C8H2F11NO2 — CID 175706734

IUPAC2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile
SMILESC=C(F)C(F)(F)OC(F)(OC(F)(C#N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F11NO2/c1-3(9)5(11,12)22-8(19,7(16,17)18)21-4(10,2-20)6(13,14)15/h1H2
InChIKeyQTIMCCIXVLPWDG-UHFFFAOYSA-N
MW353.09 g/mol
LogP4.03
Rot. Bonds5

About 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile

2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile (PubChem CID 175706734) has the molecular formula C8H2F11NO2 and a molecular weight of 353.09 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile
PubChem CID175706734
Molecular FormulaC8H2F11NO2
Molecular Weight353.09 g/mol
Exact Mass352.99
IUPAC Name2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile
SMILESC=C(F)C(F)(F)OC(F)(OC(F)(C#N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F11NO2/c1-3(9)5(11,12)22-8(19,7(16,17)18)21-4(10,2-20)6(13,14)15/h1H2
InChIKeyQTIMCCIXVLPWDG-UHFFFAOYSA-N
XLogP4.03
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile (CID 175706734) is 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile is C=C(F)C(F)(F)OC(F)(OC(F)(C#N)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile?
The InChIKey is QTIMCCIXVLPWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F11NO2/c1-3(9)5(11,12)22-8(19,7(16,17)18)21-4(10,2-20)6(13,14)15/h1H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile?
2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile has a molecular weight of 353.09 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propanenitrile is sourced from PubChem (CID 175706734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).