3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde

C17H11FOS — CID 122476336

IUPAC3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde
SMILESO=Cc1cccc(-c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C17H11FOS/c18-15-6-4-13(5-7-15)16-8-9-17(20-16)14-3-1-2-12(10-14)11-19/h1-11H
InChIKeyCIBSPLCLDISENW-UHFFFAOYSA-N
MW282.34 g/mol
LogP5.03
Rot. Bonds3

About 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde

3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde (PubChem CID 122476336) has the molecular formula C17H11FOS and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde
PubChem CID122476336
Molecular FormulaC17H11FOS
Molecular Weight282.34 g/mol
Exact Mass282.05
IUPAC Name3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde
SMILESO=Cc1cccc(-c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C17H11FOS/c18-15-6-4-13(5-7-15)16-8-9-17(20-16)14-3-1-2-12(10-14)11-19/h1-11H
InChIKeyCIBSPLCLDISENW-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 55.03
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-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde?
The IUPAC name of 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde (CID 122476336) is 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde.
What is the SMILES notation for 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde?
The canonical SMILES for 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde is O=Cc1cccc(-c2ccc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde?
The InChIKey is CIBSPLCLDISENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FOS/c18-15-6-4-13(5-7-15)16-8-9-17(20-16)14-3-1-2-12(10-14)11-19/h1-11H.
What are the key properties of 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde?
3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)thiophen-2-yl]benzaldehyde is sourced from PubChem (CID 122476336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).