5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate

C22H20F2O4 — CID 173269639

IUPAC5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate
SMILESO=C(CCC=Cc1ccc(F)cc1)OOC(=O)CCC=Cc1ccc(F)cc1
InChIInChI=1S/C22H20F2O4/c23-19-13-9-17(10-14-19)5-1-3-7-21(25)27-28-22(26)8-4-2-6-18-11-15-20(24)16-12-18/h1-2,5-6,9-16H,3-4,7-8H2
InChIKeySAIZWZIITREFCS-UHFFFAOYSA-N
MW386.39 g/mol
LogP5.25
Rot. Bonds8

About 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate

5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate (PubChem CID 173269639) has the molecular formula C22H20F2O4 and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate.

Molecular Properties

Compound Name5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate
PubChem CID173269639
Molecular FormulaC22H20F2O4
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate
SMILESO=C(CCC=Cc1ccc(F)cc1)OOC(=O)CCC=Cc1ccc(F)cc1
InChIInChI=1S/C22H20F2O4/c23-19-13-9-17(10-14-19)5-1-3-7-21(25)27-28-22(26)8-4-2-6-18-11-15-20(24)16-12-18/h1-2,5-6,9-16H,3-4,7-8H2
InChIKeySAIZWZIITREFCS-UHFFFAOYSA-N
XLogP5.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.39
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate?
The IUPAC name of 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate (CID 173269639) is 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate.
What is the SMILES notation for 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate?
The canonical SMILES for 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate is O=C(CCC=Cc1ccc(F)cc1)OOC(=O)CCC=Cc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate?
The InChIKey is SAIZWZIITREFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2O4/c23-19-13-9-17(10-14-19)5-1-3-7-21(25)27-28-22(26)8-4-2-6-18-11-15-20(24)16-12-18/h1-2,5-6,9-16H,3-4,7-8H2.
What are the key properties of 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate?
5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate has a molecular weight of 386.39 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate is sourced from PubChem (CID 173269639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).