3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene

C10H11F7 — CID 54488488

IUPAC3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene
SMILESCCC(F)(F)C(F)(F)C(F)=C(F)C(F)=C(C)C
InChIInChI=1S/C10H11F7/c1-4-9(14,15)10(16,17)8(13)7(12)6(11)5(2)3/h4H2,1-3H3
InChIKeyXUBFKJLUXQJJPC-UHFFFAOYSA-N
MW264.18 g/mol
LogP5.08
Rot. Bonds4

About 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene

3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene (PubChem CID 54488488) has the molecular formula C10H11F7 and a molecular weight of 264.18 g/mol. Its IUPAC name is 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene.

Molecular Properties

Compound Name3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene
PubChem CID54488488
Molecular FormulaC10H11F7
Molecular Weight264.18 g/mol
Exact Mass264.07
IUPAC Name3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene
SMILESCCC(F)(F)C(F)(F)C(F)=C(F)C(F)=C(C)C
InChIInChI=1S/C10H11F7/c1-4-9(14,15)10(16,17)8(13)7(12)6(11)5(2)3/h4H2,1-3H3
InChIKeyXUBFKJLUXQJJPC-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.18
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene?
The IUPAC name of 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene (CID 54488488) is 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene.
What is the SMILES notation for 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene?
The canonical SMILES for 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene is CCC(F)(F)C(F)(F)C(F)=C(F)C(F)=C(C)C.
What is the InChIKey of 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene?
The InChIKey is XUBFKJLUXQJJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7/c1-4-9(14,15)10(16,17)8(13)7(12)6(11)5(2)3/h4H2,1-3H3.
What are the key properties of 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene?
3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene has a molecular weight of 264.18 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,6,7,7-heptafluoro-2-methylnona-2,4-diene is sourced from PubChem (CID 54488488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).