4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene

C9H5F13 — CID 2776255

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
SMILESCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3
InChIKeyZYHWHNDIVSRFMS-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.30
Rot. Bonds5

About 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene (PubChem CID 2776255) has the molecular formula C9H5F13 and a molecular weight of 360.11 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
PubChem CID2776255
Molecular FormulaC9H5F13
Molecular Weight360.11 g/mol
Exact Mass360.02
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
SMILESCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3
InChIKeyZYHWHNDIVSRFMS-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene (CID 2776255) is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene is CC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
The InChIKey is ZYHWHNDIVSRFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene has a molecular weight of 360.11 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene is sourced from PubChem (CID 2776255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).