2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline

C11H14F3NOS — CID 43251136

IUPAC2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline
SMILESCCOCCSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H14F3NOS/c1-2-16-5-6-17-10-4-3-8(7-9(10)15)11(12,13)14/h3-4,7H,2,5-6,15H2,1H3
InChIKeyUQGZHEPJIOKTAQ-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.42
Rot. Bonds5

About 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline

2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline (PubChem CID 43251136) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline
PubChem CID43251136
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline
SMILESCCOCCSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H14F3NOS/c1-2-16-5-6-17-10-4-3-8(7-9(10)15)11(12,13)14/h3-4,7H,2,5-6,15H2,1H3
InChIKeyUQGZHEPJIOKTAQ-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline (CID 43251136) is 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline is CCOCCSc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline?
The InChIKey is UQGZHEPJIOKTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-2-16-5-6-17-10-4-3-8(7-9(10)15)11(12,13)14/h3-4,7H,2,5-6,15H2,1H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline?
2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline has a molecular weight of 265.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43251136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).