5-(4-fluorophenoxy)pentanal

C11H13FO2 — CID 54288315

IUPAC5-(4-fluorophenoxy)pentanal
SMILESO=CCCCCOc1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-8H,1-3,9H2
InChIKeyRVSLYUGPVJVVGH-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.57
Rot. Bonds6

About 5-(4-fluorophenoxy)pentanal

5-(4-fluorophenoxy)pentanal (PubChem CID 54288315) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)pentanal.

Molecular Properties

Compound Name5-(4-fluorophenoxy)pentanal
PubChem CID54288315
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name5-(4-fluorophenoxy)pentanal
SMILESO=CCCCCOc1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-8H,1-3,9H2
InChIKeyRVSLYUGPVJVVGH-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)pentanal?
The IUPAC name of 5-(4-fluorophenoxy)pentanal (CID 54288315) is 5-(4-fluorophenoxy)pentanal.
What is the SMILES notation for 5-(4-fluorophenoxy)pentanal?
The canonical SMILES for 5-(4-fluorophenoxy)pentanal is O=CCCCCOc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenoxy)pentanal?
The InChIKey is RVSLYUGPVJVVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-8H,1-3,9H2.
What are the key properties of 5-(4-fluorophenoxy)pentanal?
5-(4-fluorophenoxy)pentanal has a molecular weight of 196.22 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)pentanal is sourced from PubChem (CID 54288315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).