2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride

C8H4F12O2 — CID 139793143

IUPAC2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride
SMILESO=C(F)C(F)(CC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12O2/c9-3(21)4(10,1-5(11,12)7(15,16)17)22-2-6(13,14)8(18,19)20/h1-2H2
InChIKeyYNZWUTOBPJSXDS-UHFFFAOYSA-N
MW360.09 g/mol
LogP3.95
Rot. Bonds6

About 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride

2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride (PubChem CID 139793143) has the molecular formula C8H4F12O2 and a molecular weight of 360.09 g/mol. Its IUPAC name is 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride.

Molecular Properties

Compound Name2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride
PubChem CID139793143
Molecular FormulaC8H4F12O2
Molecular Weight360.09 g/mol
Exact Mass360.00
IUPAC Name2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride
SMILESO=C(F)C(F)(CC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12O2/c9-3(21)4(10,1-5(11,12)7(15,16)17)22-2-6(13,14)8(18,19)20/h1-2H2
InChIKeyYNZWUTOBPJSXDS-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.09
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride?
The IUPAC name of 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride (CID 139793143) is 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride.
What is the SMILES notation for 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride?
The canonical SMILES for 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride is O=C(F)C(F)(CC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride?
The InChIKey is YNZWUTOBPJSXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O2/c9-3(21)4(10,1-5(11,12)7(15,16)17)22-2-6(13,14)8(18,19)20/h1-2H2.
What are the key properties of 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride?
2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride has a molecular weight of 360.09 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5,5-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride is sourced from PubChem (CID 139793143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).