2,2,3,3,4,4,5,5-octafluoropentanenitrile

C5HF8N — CID 2781241

IUPAC2,2,3,3,4,4,5,5-octafluoropentanenitrile
SMILESN#CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5HF8N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H
InChIKeyRLAXGPNFIAFXPB-UHFFFAOYSA-N
MW227.05 g/mol
LogP2.68
Rot. Bonds3

About 2,2,3,3,4,4,5,5-octafluoropentanenitrile

2,2,3,3,4,4,5,5-octafluoropentanenitrile (PubChem CID 2781241) has the molecular formula C5HF8N and a molecular weight of 227.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentanenitrile.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentanenitrile
PubChem CID2781241
Molecular FormulaC5HF8N
Molecular Weight227.05 g/mol
Exact Mass227.00
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentanenitrile
SMILESN#CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5HF8N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H
InChIKeyRLAXGPNFIAFXPB-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 52.68
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 2,2,3,3,4,4,5,5-octafluoropentanenitrile?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentanenitrile (CID 2781241) is 2,2,3,3,4,4,5,5-octafluoropentanenitrile.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentanenitrile?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentanenitrile is N#CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentanenitrile?
The InChIKey is RLAXGPNFIAFXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF8N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentanenitrile?
2,2,3,3,4,4,5,5-octafluoropentanenitrile has a molecular weight of 227.05 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentanenitrile is sourced from PubChem (CID 2781241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).