2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde

C13H8ClFOS — CID 55239711

IUPAC2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde
SMILESO=Cc1c(Cl)cccc1Sc1ccc(F)cc1
InChIInChI=1S/C13H8ClFOS/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-8H
InChIKeyBBEZBODTZRJOMI-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde

2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde (PubChem CID 55239711) has the molecular formula C13H8ClFOS and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde
PubChem CID55239711
Molecular FormulaC13H8ClFOS
Molecular Weight266.72 g/mol
Exact Mass266.00
IUPAC Name2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde
SMILESO=Cc1c(Cl)cccc1Sc1ccc(F)cc1
InChIInChI=1S/C13H8ClFOS/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-8H
InChIKeyBBEZBODTZRJOMI-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.44
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 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde (CID 55239711) is 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde is O=Cc1c(Cl)cccc1Sc1ccc(F)cc1.
What is the InChIKey of 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde?
The InChIKey is BBEZBODTZRJOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFOS/c14-12-2-1-3-13(11(12)8-16)17-10-6-4-9(15)5-7-10/h1-8H.
What are the key properties of 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde?
2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde has a molecular weight of 266.72 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluorophenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 55239711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).