1,1,1,4,5,5,6,6,7-nonafluorononane

C9H11F9 — CID 175510565

IUPAC1,1,1,4,5,5,6,6,7-nonafluorononane
SMILESCCC(F)C(F)(F)C(F)(F)C(F)CCC(F)(F)F
InChIInChI=1S/C9H11F9/c1-2-5(10)8(15,16)9(17,18)6(11)3-4-7(12,13)14/h5-6H,2-4H2,1H3
InChIKeySQHFRMLIHVNDLJ-UHFFFAOYSA-N
MW290.17 g/mol
LogP4.69
Rot. Bonds6

About 1,1,1,4,5,5,6,6,7-nonafluorononane

1,1,1,4,5,5,6,6,7-nonafluorononane (PubChem CID 175510565) has the molecular formula C9H11F9 and a molecular weight of 290.17 g/mol. Its IUPAC name is 1,1,1,4,5,5,6,6,7-nonafluorononane.

Molecular Properties

Compound Name1,1,1,4,5,5,6,6,7-nonafluorononane
PubChem CID175510565
Molecular FormulaC9H11F9
Molecular Weight290.17 g/mol
Exact Mass290.07
IUPAC Name1,1,1,4,5,5,6,6,7-nonafluorononane
SMILESCCC(F)C(F)(F)C(F)(F)C(F)CCC(F)(F)F
InChIInChI=1S/C9H11F9/c1-2-5(10)8(15,16)9(17,18)6(11)3-4-7(12,13)14/h5-6H,2-4H2,1H3
InChIKeySQHFRMLIHVNDLJ-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,6,6,7-nonafluorononane?
The IUPAC name of 1,1,1,4,5,5,6,6,7-nonafluorononane (CID 175510565) is 1,1,1,4,5,5,6,6,7-nonafluorononane.
What is the SMILES notation for 1,1,1,4,5,5,6,6,7-nonafluorononane?
The canonical SMILES for 1,1,1,4,5,5,6,6,7-nonafluorononane is CCC(F)C(F)(F)C(F)(F)C(F)CCC(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,6,6,7-nonafluorononane?
The InChIKey is SQHFRMLIHVNDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9/c1-2-5(10)8(15,16)9(17,18)6(11)3-4-7(12,13)14/h5-6H,2-4H2,1H3.
What are the key properties of 1,1,1,4,5,5,6,6,7-nonafluorononane?
1,1,1,4,5,5,6,6,7-nonafluorononane has a molecular weight of 290.17 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5,6,6,7-nonafluorononane is sourced from PubChem (CID 175510565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).