5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid

C9H7F11O2 — CID 18469837

IUPAC5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
SMILESO=C(O)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F11O2/c10-5(11,3-1-2-4(21)22)6(12,13)7(14,15)8(16,17)9(18,19)20/h1-3H2,(H,21,22)
InChIKeyPSELATVJUWEPCC-UHFFFAOYSA-N
MW356.13 g/mol
LogP4.34
Rot. Bonds7

About 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid

5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid (PubChem CID 18469837) has the molecular formula C9H7F11O2 and a molecular weight of 356.13 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
PubChem CID18469837
Molecular FormulaC9H7F11O2
Molecular Weight356.13 g/mol
Exact Mass356.03
IUPAC Name5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
SMILESO=C(O)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F11O2/c10-5(11,3-1-2-4(21)22)6(12,13)7(14,15)8(16,17)9(18,19)20/h1-3H2,(H,21,22)
InChIKeyPSELATVJUWEPCC-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
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3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfinyl)propanoic acid
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6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-2-methyltridec-1-en-1-one
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;octanoic acid
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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid (CID 18469837) is 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid is O=C(O)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid?
The InChIKey is PSELATVJUWEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F11O2/c10-5(11,3-1-2-4(21)22)6(12,13)7(14,15)8(16,17)9(18,19)20/h1-3H2,(H,21,22).
What are the key properties of 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid?
5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid has a molecular weight of 356.13 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid is sourced from PubChem (CID 18469837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).