2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline

C11H15F2NOS — CID 43387905

IUPAC2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline
SMILESCCOCCNc1ccccc1SC(F)F
InChIInChI=1S/C11H15F2NOS/c1-2-15-8-7-14-9-5-3-4-6-10(9)16-11(12)13/h3-6,11,14H,2,7-8H2,1H3
InChIKeyFTBLESIWEUPPHA-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.45
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline

2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline (PubChem CID 43387905) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline
PubChem CID43387905
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline
SMILESCCOCCNc1ccccc1SC(F)F
InChIInChI=1S/C11H15F2NOS/c1-2-15-8-7-14-9-5-3-4-6-10(9)16-11(12)13/h3-6,11,14H,2,7-8H2,1H3
InChIKeyFTBLESIWEUPPHA-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline (CID 43387905) is 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline is CCOCCNc1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline?
The InChIKey is FTBLESIWEUPPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-2-15-8-7-14-9-5-3-4-6-10(9)16-11(12)13/h3-6,11,14H,2,7-8H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline?
2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline has a molecular weight of 247.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2-ethoxyethyl)aniline is sourced from PubChem (CID 43387905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).