2-(2-fluoroethylsulfonyl)phenol

C8H9FO3S — CID 84672153

IUPAC2-(2-fluoroethylsulfonyl)phenol
SMILESO=S(=O)(CCF)c1ccccc1O
InChIInChI=1S/C8H9FO3S/c9-5-6-13(11,12)8-4-2-1-3-7(8)10/h1-4,10H,5-6H2
InChIKeyQLNAIMDGRAGOCU-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.14
Rot. Bonds3

About 2-(2-fluoroethylsulfonyl)phenol

2-(2-fluoroethylsulfonyl)phenol (PubChem CID 84672153) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfonyl)phenol.

Molecular Properties

Compound Name2-(2-fluoroethylsulfonyl)phenol
PubChem CID84672153
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name2-(2-fluoroethylsulfonyl)phenol
SMILESO=S(=O)(CCF)c1ccccc1O
InChIInChI=1S/C8H9FO3S/c9-5-6-13(11,12)8-4-2-1-3-7(8)10/h1-4,10H,5-6H2
InChIKeyQLNAIMDGRAGOCU-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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Related Compounds

4-(2-hydroxyphenyl)sulfonylbutanoic acid
CID 84704454
2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine
CID 84694592
2-fluoroethylsulfonylbenzene
CID 66796542
2-(trifluoromethylsulfonyl)phenol
CID 15731663
3-(2-fluoroethylsulfonyl)phenol
CID 84672154
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549
2-(triethyl-λ4-sulfanyl)phenol
CID 139364541
2-(tert-butylsulfonimidoyl)phenol
CID 25041022
2-[(2-methoxyphenyl)methylsulfonyl]phenol
CID 174818780
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
2-(2-fluoroethyl)benzenesulfonic acid
CID 87155130
sodium;formaldehyde;2-hydroxybenzenesulfonate
CID 87657944

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfonyl)phenol?
The IUPAC name of 2-(2-fluoroethylsulfonyl)phenol (CID 84672153) is 2-(2-fluoroethylsulfonyl)phenol.
What is the SMILES notation for 2-(2-fluoroethylsulfonyl)phenol?
The canonical SMILES for 2-(2-fluoroethylsulfonyl)phenol is O=S(=O)(CCF)c1ccccc1O.
What is the InChIKey of 2-(2-fluoroethylsulfonyl)phenol?
The InChIKey is QLNAIMDGRAGOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c9-5-6-13(11,12)8-4-2-1-3-7(8)10/h1-4,10H,5-6H2.
What are the key properties of 2-(2-fluoroethylsulfonyl)phenol?
2-(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 2-(2-fluoroethylsulfonyl)phenol is sourced from PubChem (CID 84672153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).