2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid

C8HF11O4 — CID 172823556

IUPAC2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid
SMILESO=C(O)C(F)(F)C(=O)C(F)(F)C(F)(F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF11O4/c9-4(10,3(22)23)1(20)5(11,12)6(13,14)2(21)7(15,16)8(17,18)19/h(H,22,23)
InChIKeyUNYUDBMWNSHOKK-UHFFFAOYSA-N
MW370.07 g/mol
LogP2.31
Rot. Bonds6

About 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid

2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid (PubChem CID 172823556) has the molecular formula C8HF11O4 and a molecular weight of 370.07 g/mol. Its IUPAC name is 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid.

Molecular Properties

Compound Name2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid
PubChem CID172823556
Molecular FormulaC8HF11O4
Molecular Weight370.07 g/mol
Exact Mass369.97
IUPAC Name2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid
SMILESO=C(O)C(F)(F)C(=O)C(F)(F)C(F)(F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF11O4/c9-4(10,3(22)23)1(20)5(11,12)6(13,14)2(21)7(15,16)8(17,18)19/h(H,22,23)
InChIKeyUNYUDBMWNSHOKK-UHFFFAOYSA-N
XLogP2.31
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid?
The IUPAC name of 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid (CID 172823556) is 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid.
What is the SMILES notation for 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid?
The canonical SMILES for 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid is O=C(O)C(F)(F)C(=O)C(F)(F)C(F)(F)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid?
The InChIKey is UNYUDBMWNSHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF11O4/c9-4(10,3(22)23)1(20)5(11,12)6(13,14)2(21)7(15,16)8(17,18)19/h(H,22,23).
What are the key properties of 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid?
2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid has a molecular weight of 370.07 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,7,7,8,8,8-undecafluoro-3,6-dioxooctanoic acid is sourced from PubChem (CID 172823556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).