3-(2-fluoroethylsulfonyl)phenol

C8H9FO3S — CID 84672154

IUPAC3-(2-fluoroethylsulfonyl)phenol
SMILESO=S(=O)(CCF)c1cccc(O)c1
InChIInChI=1S/C8H9FO3S/c9-4-5-13(11,12)8-3-1-2-7(10)6-8/h1-3,6,10H,4-5H2
InChIKeyYXFGICDSJYGRFQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.14
Rot. Bonds3

About 3-(2-fluoroethylsulfonyl)phenol

3-(2-fluoroethylsulfonyl)phenol (PubChem CID 84672154) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfonyl)phenol.

Molecular Properties

Compound Name3-(2-fluoroethylsulfonyl)phenol
PubChem CID84672154
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name3-(2-fluoroethylsulfonyl)phenol
SMILESO=S(=O)(CCF)c1cccc(O)c1
InChIInChI=1S/C8H9FO3S/c9-4-5-13(11,12)8-3-1-2-7(10)6-8/h1-3,6,10H,4-5H2
InChIKeyYXFGICDSJYGRFQ-UHFFFAOYSA-N
XLogP1.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfonyl)phenol?
The IUPAC name of 3-(2-fluoroethylsulfonyl)phenol (CID 84672154) is 3-(2-fluoroethylsulfonyl)phenol.
What is the SMILES notation for 3-(2-fluoroethylsulfonyl)phenol?
The canonical SMILES for 3-(2-fluoroethylsulfonyl)phenol is O=S(=O)(CCF)c1cccc(O)c1.
What is the InChIKey of 3-(2-fluoroethylsulfonyl)phenol?
The InChIKey is YXFGICDSJYGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c9-4-5-13(11,12)8-3-1-2-7(10)6-8/h1-3,6,10H,4-5H2.
What are the key properties of 3-(2-fluoroethylsulfonyl)phenol?
3-(2-fluoroethylsulfonyl)phenol has a molecular weight of 204.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfonyl)phenol is sourced from PubChem (CID 84672154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).