5-(4-fluorophenyl)pentaneperoxoic acid

C11H13FO3 — CID 87783739

IUPAC5-(4-fluorophenyl)pentaneperoxoic acid
SMILESO=C(CCCCc1ccc(F)cc1)OO
InChIInChI=1S/C11H13FO3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)15-14/h5-8,14H,1-4H2
InChIKeyBLRREBKXTUYDAI-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.55
Rot. Bonds5

About 5-(4-fluorophenyl)pentaneperoxoic acid

5-(4-fluorophenyl)pentaneperoxoic acid (PubChem CID 87783739) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)pentaneperoxoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)pentaneperoxoic acid
PubChem CID87783739
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-(4-fluorophenyl)pentaneperoxoic acid
SMILESO=C(CCCCc1ccc(F)cc1)OO
InChIInChI=1S/C11H13FO3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)15-14/h5-8,14H,1-4H2
InChIKeyBLRREBKXTUYDAI-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)hexanoic acid
CID 14739735
11-(4-fluorophenyl)undecanamide
CID 144640590
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
methyl 4-[4-(4-fluorobenzoyl)phenyl]butanoate
CID 10756621
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269
[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate
CID 90174752
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
CID 90170475
methyl 7-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]heptanoate
CID 139937357
2-methylprop-2-enyl 3-(4-fluorophenyl)propanoate
CID 78833084

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)pentaneperoxoic acid?
The IUPAC name of 5-(4-fluorophenyl)pentaneperoxoic acid (CID 87783739) is 5-(4-fluorophenyl)pentaneperoxoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)pentaneperoxoic acid?
The canonical SMILES for 5-(4-fluorophenyl)pentaneperoxoic acid is O=C(CCCCc1ccc(F)cc1)OO.
What is the InChIKey of 5-(4-fluorophenyl)pentaneperoxoic acid?
The InChIKey is BLRREBKXTUYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)15-14/h5-8,14H,1-4H2.
What are the key properties of 5-(4-fluorophenyl)pentaneperoxoic acid?
5-(4-fluorophenyl)pentaneperoxoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)pentaneperoxoic acid is sourced from PubChem (CID 87783739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).