5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde

C17H11FOS — CID 63802214

IUPAC5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)ccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H11FOS/c18-15-6-8-17(14(9-15)11-19)20-16-7-5-12-3-1-2-4-13(12)10-16/h1-11H
InChIKeyGYPFBNLAIOZCNC-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.94
Rot. Bonds3

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

5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde (PubChem CID 63802214) has the molecular formula C17H11FOS and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde
PubChem CID63802214
Molecular FormulaC17H11FOS
Molecular Weight282.34 g/mol
Exact Mass282.05
IUPAC Name5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)ccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H11FOS/c18-15-6-8-17(14(9-15)11-19)20-16-7-5-12-3-1-2-4-13(12)10-16/h1-11H
InChIKeyGYPFBNLAIOZCNC-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 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde?
The IUPAC name of 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde (CID 63802214) is 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde.
What is the SMILES notation for 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde?
The canonical SMILES for 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde is O=Cc1cc(F)ccc1Sc1ccc2ccccc2c1.
What is the InChIKey of 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde?
The InChIKey is GYPFBNLAIOZCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FOS/c18-15-6-8-17(14(9-15)11-19)20-16-7-5-12-3-1-2-4-13(12)10-16/h1-11H.
What are the key properties of 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde?
5-fluoro-2-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 5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde is sourced from PubChem (CID 63802214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).