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

C7H8F5NO — CID 160801472

IUPAC4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile
SMILESCCOC(C)(F)C(F)(F)C(F)(F)C#N
InChIInChI=1S/C7H8F5NO/c1-3-14-5(2,8)7(11,12)6(9,10)4-13/h3H2,1-2H3
InChIKeySDCYNCLSZXBSNH-UHFFFAOYSA-N
MW217.14 g/mol
LogP2.50
Rot. Bonds4

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

4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile (PubChem CID 160801472) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile.

Molecular Properties

Compound Name4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile
PubChem CID160801472
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile
SMILESCCOC(C)(F)C(F)(F)C(F)(F)C#N
InChIInChI=1S/C7H8F5NO/c1-3-14-5(2,8)7(11,12)6(9,10)4-13/h3H2,1-2H3
InChIKeySDCYNCLSZXBSNH-UHFFFAOYSA-N
XLogP2.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile?
The IUPAC name of 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile (CID 160801472) is 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile.
What is the SMILES notation for 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile?
The canonical SMILES for 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile is CCOC(C)(F)C(F)(F)C(F)(F)C#N.
What is the InChIKey of 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile?
The InChIKey is SDCYNCLSZXBSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c1-3-14-5(2,8)7(11,12)6(9,10)4-13/h3H2,1-2H3.
What are the key properties of 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile?
4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile has a molecular weight of 217.14 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,2,3,3,4-pentafluoropentanenitrile is sourced from PubChem (CID 160801472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).