5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile

C18H9F26N — CID 138976545

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile
SMILESN#CC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H9F26N/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)3-1-6(5-45)2-4-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h6H,1-4H2
InChIKeyJODQQTIEPDRHLM-UHFFFAOYSA-N
MW733.22 g/mol
LogP10.16
Rot. Bonds14

About 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile (PubChem CID 138976545) has the molecular formula C18H9F26N and a molecular weight of 733.22 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile
PubChem CID138976545
Molecular FormulaC18H9F26N
Molecular Weight733.22 g/mol
Exact Mass733.03
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile
SMILESN#CC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H9F26N/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)3-1-6(5-45)2-4-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h6H,1-4H2
InChIKeyJODQQTIEPDRHLM-UHFFFAOYSA-N
XLogP10.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.22
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile (CID 138976545) is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile is N#CC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile?
The InChIKey is JODQQTIEPDRHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F26N/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)3-1-6(5-45)2-4-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h6H,1-4H2.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile?
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile has a molecular weight of 733.22 g/mol, XLogP of 10.16, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decanenitrile is sourced from PubChem (CID 138976545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).