2-[2-(difluoromethylsulfanyl)anilino]ethanol

C9H11F2NOS — CID 28573658

IUPAC2-[2-(difluoromethylsulfanyl)anilino]ethanol
SMILESOCCNc1ccccc1SC(F)F
InChIInChI=1S/C9H11F2NOS/c10-9(11)14-8-4-2-1-3-7(8)12-5-6-13/h1-4,9,12-13H,5-6H2
InChIKeySYPRJAKIFJYBRQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-(difluoromethylsulfanyl)anilino]ethanol

2-[2-(difluoromethylsulfanyl)anilino]ethanol (PubChem CID 28573658) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)anilino]ethanol
PubChem CID28573658
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name2-[2-(difluoromethylsulfanyl)anilino]ethanol
SMILESOCCNc1ccccc1SC(F)F
InChIInChI=1S/C9H11F2NOS/c10-9(11)14-8-4-2-1-3-7(8)12-5-6-13/h1-4,9,12-13H,5-6H2
InChIKeySYPRJAKIFJYBRQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)anilino]ethanol?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)anilino]ethanol (CID 28573658) is 2-[2-(difluoromethylsulfanyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)anilino]ethanol?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)anilino]ethanol is OCCNc1ccccc1SC(F)F.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)anilino]ethanol?
The InChIKey is SYPRJAKIFJYBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c10-9(11)14-8-4-2-1-3-7(8)12-5-6-13/h1-4,9,12-13H,5-6H2.
What are the key properties of 2-[2-(difluoromethylsulfanyl)anilino]ethanol?
2-[2-(difluoromethylsulfanyl)anilino]ethanol has a molecular weight of 219.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)anilino]ethanol is sourced from PubChem (CID 28573658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).