3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde

C13H15FO2 — CID 106202440

IUPAC3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(OCCC2CCC2)c1
InChIInChI=1S/C13H15FO2/c14-12-6-11(9-15)7-13(8-12)16-5-4-10-2-1-3-10/h6-10H,1-5H2
InChIKeyMMAAUXQBLDYVQY-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.21
Rot. Bonds5

About 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde

3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde (PubChem CID 106202440) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
PubChem CID106202440
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(OCCC2CCC2)c1
InChIInChI=1S/C13H15FO2/c14-12-6-11(9-15)7-13(8-12)16-5-4-10-2-1-3-10/h6-10H,1-5H2
InChIKeyMMAAUXQBLDYVQY-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde?
The IUPAC name of 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde (CID 106202440) is 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(OCCC2CCC2)c1.
What is the InChIKey of 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde?
The InChIKey is MMAAUXQBLDYVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-12-6-11(9-15)7-13(8-12)16-5-4-10-2-1-3-10/h6-10H,1-5H2.
What are the key properties of 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde?
3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde has a molecular weight of 222.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 106202440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).