2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde

C17H15FO — CID 114077830

IUPAC2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H15FO/c18-16-8-9-17(15(10-16)11-19)14-6-4-13(5-7-14)12-2-1-3-12/h4-12H,1-3H2
InChIKeyPUVRVBRUZIRTQW-UHFFFAOYSA-N
MW254.30 g/mol
LogP4.57
Rot. Bonds3

About 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde

2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde (PubChem CID 114077830) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde
PubChem CID114077830
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H15FO/c18-16-8-9-17(15(10-16)11-19)14-6-4-13(5-7-14)12-2-1-3-12/h4-12H,1-3H2
InChIKeyPUVRVBRUZIRTQW-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde (CID 114077830) is 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde?
The InChIKey is PUVRVBRUZIRTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c18-16-8-9-17(15(10-16)11-19)14-6-4-13(5-7-14)12-2-1-3-12/h4-12H,1-3H2.
What are the key properties of 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde?
2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde has a molecular weight of 254.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde is sourced from PubChem (CID 114077830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).