4-ethylsulfinyl-2-fluorophenol

C8H9FO2S — CID 91250564

IUPAC4-ethylsulfinyl-2-fluorophenol
SMILESCCS(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C8H9FO2S/c1-2-12(11)6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
InChIKeyZGPSNKSNFUNMFI-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.66
Rot. Bonds2

About 4-ethylsulfinyl-2-fluorophenol

4-ethylsulfinyl-2-fluorophenol (PubChem CID 91250564) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 4-ethylsulfinyl-2-fluorophenol.

Molecular Properties

Compound Name4-ethylsulfinyl-2-fluorophenol
PubChem CID91250564
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name4-ethylsulfinyl-2-fluorophenol
SMILESCCS(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C8H9FO2S/c1-2-12(11)6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
InChIKeyZGPSNKSNFUNMFI-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfinyl-2-fluorophenol?
The IUPAC name of 4-ethylsulfinyl-2-fluorophenol (CID 91250564) is 4-ethylsulfinyl-2-fluorophenol.
What is the SMILES notation for 4-ethylsulfinyl-2-fluorophenol?
The canonical SMILES for 4-ethylsulfinyl-2-fluorophenol is CCS(=O)c1ccc(O)c(F)c1.
What is the InChIKey of 4-ethylsulfinyl-2-fluorophenol?
The InChIKey is ZGPSNKSNFUNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-2-12(11)6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3.
What are the key properties of 4-ethylsulfinyl-2-fluorophenol?
4-ethylsulfinyl-2-fluorophenol has a molecular weight of 188.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfinyl-2-fluorophenol is sourced from PubChem (CID 91250564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).