2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile

C7H8F5NO — CID 175104928

IUPAC2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile
SMILESCCOC(F)(C#N)C(F)C(F)C(F)F
InChIInChI=1S/C7H8F5NO/c1-2-14-7(12,3-13)5(9)4(8)6(10)11/h4-6H,2H2,1H3
InChIKeyLYTKQDHBBKMBSE-UHFFFAOYSA-N
MW217.14 g/mol
LogP2.15
Rot. Bonds5

About 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile

2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile (PubChem CID 175104928) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile.

Molecular Properties

Compound Name2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile
PubChem CID175104928
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile
SMILESCCOC(F)(C#N)C(F)C(F)C(F)F
InChIInChI=1S/C7H8F5NO/c1-2-14-7(12,3-13)5(9)4(8)6(10)11/h4-6H,2H2,1H3
InChIKeyLYTKQDHBBKMBSE-UHFFFAOYSA-N
XLogP2.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile?
The IUPAC name of 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile (CID 175104928) is 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile.
What is the SMILES notation for 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile?
The canonical SMILES for 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile is CCOC(F)(C#N)C(F)C(F)C(F)F.
What is the InChIKey of 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile?
The InChIKey is LYTKQDHBBKMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c1-2-14-7(12,3-13)5(9)4(8)6(10)11/h4-6H,2H2,1H3.
What are the key properties of 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile?
2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile has a molecular weight of 217.14 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,3,4,5,5-pentafluoropentanenitrile is sourced from PubChem (CID 175104928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).