4,4,5,5,5-pentafluoropentanenitrile

C5H4F5N — CID 15751741

IUPAC4,4,5,5,5-pentafluoropentanenitrile
SMILESN#CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5N/c6-4(7,2-1-3-11)5(8,9)10/h1-2H2
InChIKeyXEJRGCHSIGQKAH-UHFFFAOYSA-N
MW173.08 g/mol
LogP2.49
Rot. Bonds2

About 4,4,5,5,5-pentafluoropentanenitrile

4,4,5,5,5-pentafluoropentanenitrile (PubChem CID 15751741) has the molecular formula C5H4F5N and a molecular weight of 173.08 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropentanenitrile.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropentanenitrile
PubChem CID15751741
Molecular FormulaC5H4F5N
Molecular Weight173.08 g/mol
Exact Mass173.03
IUPAC Name4,4,5,5,5-pentafluoropentanenitrile
SMILESN#CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5N/c6-4(7,2-1-3-11)5(8,9)10/h1-2H2
InChIKeyXEJRGCHSIGQKAH-UHFFFAOYSA-N
XLogP2.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.08
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4,5,5,5-pentafluoropentanenitrile?
The IUPAC name of 4,4,5,5,5-pentafluoropentanenitrile (CID 15751741) is 4,4,5,5,5-pentafluoropentanenitrile.
What is the SMILES notation for 4,4,5,5,5-pentafluoropentanenitrile?
The canonical SMILES for 4,4,5,5,5-pentafluoropentanenitrile is N#CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropentanenitrile?
The InChIKey is XEJRGCHSIGQKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F5N/c6-4(7,2-1-3-11)5(8,9)10/h1-2H2.
What are the key properties of 4,4,5,5,5-pentafluoropentanenitrile?
4,4,5,5,5-pentafluoropentanenitrile has a molecular weight of 173.08 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropentanenitrile is sourced from PubChem (CID 15751741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).