2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile

C11H7F11N2 — CID 15979539

IUPAC2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESN#CC(C#N)(CCC(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H7F11N2/c12-6(13)10(19,20)11(21,22)8(14,15)3-7(4-23,5-24)1-2-9(16,17)18/h6H,1-3H2
InChIKeyMEQLNUTUGWFNIB-UHFFFAOYSA-N
MW376.17 g/mol
LogP4.92
Rot. Bonds7

About 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile

2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile (PubChem CID 15979539) has the molecular formula C11H7F11N2 and a molecular weight of 376.17 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
PubChem CID15979539
Molecular FormulaC11H7F11N2
Molecular Weight376.17 g/mol
Exact Mass376.04
IUPAC Name2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESN#CC(C#N)(CCC(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H7F11N2/c12-6(13)10(19,20)11(21,22)8(14,15)3-7(4-23,5-24)1-2-9(16,17)18/h6H,1-3H2
InChIKeyMEQLNUTUGWFNIB-UHFFFAOYSA-N
XLogP4.92
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 54.92
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 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile (CID 15979539) is 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile is N#CC(C#N)(CCC(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The InChIKey is MEQLNUTUGWFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F11N2/c12-6(13)10(19,20)11(21,22)8(14,15)3-7(4-23,5-24)1-2-9(16,17)18/h6H,1-3H2.
What are the key properties of 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile has a molecular weight of 376.17 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5-octafluoropentyl)-2-(3,3,3-trifluoropropyl)propanedinitrile is sourced from PubChem (CID 15979539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).