3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde

C17H11FOS — CID 106533623

IUPAC3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)cc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11FOS/c18-15-7-12(11-19)8-17(10-15)20-16-6-5-13-3-1-2-4-14(13)9-16/h1-11H
InChIKeyDOMZQWLSHBUDDY-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.94
Rot. Bonds3

About 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde

3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde (PubChem CID 106533623) has the molecular formula C17H11FOS and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde
PubChem CID106533623
Molecular FormulaC17H11FOS
Molecular Weight282.34 g/mol
Exact Mass282.05
IUPAC Name3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)cc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11FOS/c18-15-7-12(11-19)8-17(10-15)20-16-6-5-13-3-1-2-4-14(13)9-16/h1-11H
InChIKeyDOMZQWLSHBUDDY-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.94
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-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde?
The IUPAC name of 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde (CID 106533623) is 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde.
What is the SMILES notation for 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde?
The canonical SMILES for 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde is O=Cc1cc(F)cc(Sc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde?
The InChIKey is DOMZQWLSHBUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FOS/c18-15-7-12(11-19)8-17(10-15)20-16-6-5-13-3-1-2-4-14(13)9-16/h1-11H.
What are the key properties of 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde?
3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-naphthalen-2-ylsulfanylbenzaldehyde is sourced from PubChem (CID 106533623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).