[2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate

C15H3F15O6 — CID 91710602

IUPAC[2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(Oc1cccc(OC(=O)C(F)(F)C(F)(F)F)c1OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H3F15O6/c16-10(17,13(22,23)24)7(31)34-4-2-1-3-5(35-8(32)11(18,19)14(25,26)27)6(4)36-9(33)12(20,21)15(28,29)30/h1-3H
InChIKeyLTEIEOOUEFMQRH-UHFFFAOYSA-N
MW564.15 g/mol
LogP5.00
Rot. Bonds6

About [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate

[2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91710602) has the molecular formula C15H3F15O6 and a molecular weight of 564.15 g/mol. Its IUPAC name is [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID91710602
Molecular FormulaC15H3F15O6
Molecular Weight564.15 g/mol
Exact Mass563.97
IUPAC Name[2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(Oc1cccc(OC(=O)C(F)(F)C(F)(F)F)c1OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H3F15O6/c16-10(17,13(22,23)24)7(31)34-4-2-1-3-5(35-8(32)11(18,19)14(25,26)27)6(4)36-9(33)12(20,21)15(28,29)30/h1-3H
InChIKeyLTEIEOOUEFMQRH-UHFFFAOYSA-N
XLogP5.00
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.15
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate (CID 91710602) is [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate is O=C(Oc1cccc(OC(=O)C(F)(F)C(F)(F)F)c1OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is LTEIEOOUEFMQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H3F15O6/c16-10(17,13(22,23)24)7(31)34-4-2-1-3-5(35-8(32)11(18,19)14(25,26)27)6(4)36-9(33)12(20,21)15(28,29)30/h1-3H.
What are the key properties of [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate?
[2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 564.15 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91710602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).