1-(2,3,4,5,6,9-hexafluorononyl)aluminane

C14H23AlF6 — CID 174445550

IUPAC1-(2,3,4,5,6,9-hexafluorononyl)aluminane
SMILESFCCCC(F)C(F)C(F)C(F)C(F)C[Al]1CCCCC1
InChIInChI=1S/C9H13F6.C5H10.Al/c1-5(11)7(13)9(15)8(14)6(12)3-2-4-10;1-3-5-4-2;/h5-9H,1-4H2;1-5H2;
InChIKeySBWWWCXWWIJEPW-UHFFFAOYSA-N
MW332.31 g/mol
LogP5.11
Rot. Bonds9

About 1-(2,3,4,5,6,9-hexafluorononyl)aluminane

1-(2,3,4,5,6,9-hexafluorononyl)aluminane (PubChem CID 174445550) has the molecular formula C14H23AlF6 and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(2,3,4,5,6,9-hexafluorononyl)aluminane.

Molecular Properties

Compound Name1-(2,3,4,5,6,9-hexafluorononyl)aluminane
PubChem CID174445550
Molecular FormulaC14H23AlF6
Molecular Weight332.31 g/mol
Exact Mass332.15
IUPAC Name1-(2,3,4,5,6,9-hexafluorononyl)aluminane
SMILESFCCCC(F)C(F)C(F)C(F)C(F)C[Al]1CCCCC1
InChIInChI=1S/C9H13F6.C5H10.Al/c1-5(11)7(13)9(15)8(14)6(12)3-2-4-10;1-3-5-4-2;/h5-9H,1-4H2;1-5H2;
InChIKeySBWWWCXWWIJEPW-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.31
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6,9-hexafluorononyl)aluminane?
The IUPAC name of 1-(2,3,4,5,6,9-hexafluorononyl)aluminane (CID 174445550) is 1-(2,3,4,5,6,9-hexafluorononyl)aluminane.
What is the SMILES notation for 1-(2,3,4,5,6,9-hexafluorononyl)aluminane?
The canonical SMILES for 1-(2,3,4,5,6,9-hexafluorononyl)aluminane is FCCCC(F)C(F)C(F)C(F)C(F)C[Al]1CCCCC1.
What is the InChIKey of 1-(2,3,4,5,6,9-hexafluorononyl)aluminane?
The InChIKey is SBWWWCXWWIJEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6.C5H10.Al/c1-5(11)7(13)9(15)8(14)6(12)3-2-4-10;1-3-5-4-2;/h5-9H,1-4H2;1-5H2;.
What are the key properties of 1-(2,3,4,5,6,9-hexafluorononyl)aluminane?
1-(2,3,4,5,6,9-hexafluorononyl)aluminane has a molecular weight of 332.31 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6,9-hexafluorononyl)aluminane is sourced from PubChem (CID 174445550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).