2,2,3,3,4,4,5,5-octafluoropentyl decanoate

C15H22F8O2 — CID 540907

IUPAC2,2,3,3,4,4,5,5-octafluoropentyl decanoate
SMILESCCCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H22F8O2/c1-2-3-4-5-6-7-8-9-11(24)25-10-13(18,19)15(22,23)14(20,21)12(16)17/h12H,2-10H2,1H3
InChIKeyUAYJPUNXOMATLD-UHFFFAOYSA-N
MW386.32 g/mol
LogP5.84
Rot. Bonds13

About 2,2,3,3,4,4,5,5-octafluoropentyl decanoate

2,2,3,3,4,4,5,5-octafluoropentyl decanoate (PubChem CID 540907) has the molecular formula C15H22F8O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentyl decanoate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentyl decanoate
PubChem CID540907
Molecular FormulaC15H22F8O2
Molecular Weight386.32 g/mol
Exact Mass386.15
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentyl decanoate
SMILESCCCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H22F8O2/c1-2-3-4-5-6-7-8-9-11(24)25-10-13(18,19)15(22,23)14(20,21)12(16)17/h12H,2-10H2,1H3
InChIKeyUAYJPUNXOMATLD-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl decanoate?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl decanoate (CID 540907) is 2,2,3,3,4,4,5,5-octafluoropentyl decanoate.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentyl decanoate?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentyl decanoate is CCCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentyl decanoate?
The InChIKey is UAYJPUNXOMATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F8O2/c1-2-3-4-5-6-7-8-9-11(24)25-10-13(18,19)15(22,23)14(20,21)12(16)17/h12H,2-10H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentyl decanoate?
2,2,3,3,4,4,5,5-octafluoropentyl decanoate has a molecular weight of 386.32 g/mol, XLogP of 5.84, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentyl decanoate is sourced from PubChem (CID 540907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).