2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde

C10H8ClF3O2S — CID 116616042

IUPAC2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
SMILESO=Cc1c(Cl)cccc1OCCSC(F)(F)F
InChIInChI=1S/C10H8ClF3O2S/c11-8-2-1-3-9(7(8)6-15)16-4-5-17-10(12,13)14/h1-3,6H,4-5H2
InChIKeyPWIBCXOHJQPVIT-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde

2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde (PubChem CID 116616042) has the molecular formula C10H8ClF3O2S and a molecular weight of 284.69 g/mol. Its IUPAC name is 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
PubChem CID116616042
Molecular FormulaC10H8ClF3O2S
Molecular Weight284.69 g/mol
Exact Mass283.99
IUPAC Name2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
SMILESO=Cc1c(Cl)cccc1OCCSC(F)(F)F
InChIInChI=1S/C10H8ClF3O2S/c11-8-2-1-3-9(7(8)6-15)16-4-5-17-10(12,13)14/h1-3,6H,4-5H2
InChIKeyPWIBCXOHJQPVIT-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde?
The IUPAC name of 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde (CID 116616042) is 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde?
The canonical SMILES for 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde is O=Cc1c(Cl)cccc1OCCSC(F)(F)F.
What is the InChIKey of 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde?
The InChIKey is PWIBCXOHJQPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O2S/c11-8-2-1-3-9(7(8)6-15)16-4-5-17-10(12,13)14/h1-3,6H,4-5H2.
What are the key properties of 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde?
2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde has a molecular weight of 284.69 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde is sourced from PubChem (CID 116616042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).