5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene

C9H9F9 — CID 71331659

IUPAC5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h3H,4H2,1-2H3
InChIKeyGBTVYCBTXQALCR-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.81
Rot. Bonds4

About 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene

5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene (PubChem CID 71331659) has the molecular formula C9H9F9 and a molecular weight of 288.15 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene
PubChem CID71331659
Molecular FormulaC9H9F9
Molecular Weight288.15 g/mol
Exact Mass288.06
IUPAC Name5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h3H,4H2,1-2H3
InChIKeyGBTVYCBTXQALCR-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.81
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 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene?
The IUPAC name of 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene (CID 71331659) is 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene.
What is the SMILES notation for 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene?
The canonical SMILES for 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene is CC(C)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene?
The InChIKey is GBTVYCBTXQALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h3H,4H2,1-2H3.
What are the key properties of 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene?
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene has a molecular weight of 288.15 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene is sourced from PubChem (CID 71331659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).