ethyl (2-fluorophenyl) sulfate

C8H9FO4S — CID 87155104

IUPACethyl (2-fluorophenyl) sulfate
SMILESCCOS(=O)(=O)Oc1ccccc1F
InChIInChI=1S/C8H9FO4S/c1-2-12-14(10,11)13-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKeyWKWVIDOFHZXFPL-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.49
Rot. Bonds4

About ethyl (2-fluorophenyl) sulfate

ethyl (2-fluorophenyl) sulfate (PubChem CID 87155104) has the molecular formula C8H9FO4S and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl (2-fluorophenyl) sulfate.

Molecular Properties

Compound Nameethyl (2-fluorophenyl) sulfate
PubChem CID87155104
Molecular FormulaC8H9FO4S
Molecular Weight220.22 g/mol
Exact Mass220.02
IUPAC Nameethyl (2-fluorophenyl) sulfate
SMILESCCOS(=O)(=O)Oc1ccccc1F
InChIInChI=1S/C8H9FO4S/c1-2-12-14(10,11)13-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKeyWKWVIDOFHZXFPL-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-fluorophenyl) methanedisulfonate
CID 90195170
(2-fluorophenyl) 4-methyl-3-propylbenzenesulfonate
CID 22921298
(2-fluorophenyl) 2-fluoro-4,5-dimethoxybenzenesulfonate
CID 35289930
1-diethylphosphoryloxy-2-fluorobenzene
CID 66797040
(2-fluorophenyl) 2-phenoxysulfonylacetate
CID 90222426
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
(2-fluorophenyl) N-ethylcarbamate
CID 127543525
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120

Frequently Asked Questions

What is the IUPAC name of ethyl (2-fluorophenyl) sulfate?
The IUPAC name of ethyl (2-fluorophenyl) sulfate (CID 87155104) is ethyl (2-fluorophenyl) sulfate.
What is the SMILES notation for ethyl (2-fluorophenyl) sulfate?
The canonical SMILES for ethyl (2-fluorophenyl) sulfate is CCOS(=O)(=O)Oc1ccccc1F.
What is the InChIKey of ethyl (2-fluorophenyl) sulfate?
The InChIKey is WKWVIDOFHZXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4S/c1-2-12-14(10,11)13-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3.
What are the key properties of ethyl (2-fluorophenyl) sulfate?
ethyl (2-fluorophenyl) sulfate has a molecular weight of 220.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-fluorophenyl) sulfate is sourced from PubChem (CID 87155104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).