2-[2-(trifluoromethylsulfonyl)anilino]ethanol

C9H10F3NO3S — CID 43427571

IUPAC2-[2-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccccc1NCCO)C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)17(15,16)8-4-2-1-3-7(8)13-5-6-14/h1-4,13-14H,5-6H2
InChIKeyFWALAZDRJCGIQB-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.38
Rot. Bonds4

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

2-[2-(trifluoromethylsulfonyl)anilino]ethanol (PubChem CID 43427571) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfonyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfonyl)anilino]ethanol
PubChem CID43427571
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name2-[2-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccccc1NCCO)C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)17(15,16)8-4-2-1-3-7(8)13-5-6-14/h1-4,13-14H,5-6H2
InChIKeyFWALAZDRJCGIQB-UHFFFAOYSA-N
XLogP1.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfonyl)anilino]ethanol?
The IUPAC name of 2-[2-(trifluoromethylsulfonyl)anilino]ethanol (CID 43427571) is 2-[2-(trifluoromethylsulfonyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(trifluoromethylsulfonyl)anilino]ethanol?
The canonical SMILES for 2-[2-(trifluoromethylsulfonyl)anilino]ethanol is O=S(=O)(c1ccccc1NCCO)C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfonyl)anilino]ethanol?
The InChIKey is FWALAZDRJCGIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c10-9(11,12)17(15,16)8-4-2-1-3-7(8)13-5-6-14/h1-4,13-14H,5-6H2.
What are the key properties of 2-[2-(trifluoromethylsulfonyl)anilino]ethanol?
2-[2-(trifluoromethylsulfonyl)anilino]ethanol has a molecular weight of 269.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfonyl)anilino]ethanol is sourced from PubChem (CID 43427571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).