phenyl 2-fluoroethanesulfinate

C8H9FO2S — CID 91127696

IUPACphenyl 2-fluoroethanesulfinate
SMILESO=S(CCF)Oc1ccccc1
InChIInChI=1S/C8H9FO2S/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyDKONUPNZUHJERS-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.70
Rot. Bonds4

About phenyl 2-fluoroethanesulfinate

phenyl 2-fluoroethanesulfinate (PubChem CID 91127696) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is phenyl 2-fluoroethanesulfinate.

Molecular Properties

Compound Namephenyl 2-fluoroethanesulfinate
PubChem CID91127696
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Namephenyl 2-fluoroethanesulfinate
SMILESO=S(CCF)Oc1ccccc1
InChIInChI=1S/C8H9FO2S/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyDKONUPNZUHJERS-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-fluoroethanesulfinate?
The IUPAC name of phenyl 2-fluoroethanesulfinate (CID 91127696) is phenyl 2-fluoroethanesulfinate.
What is the SMILES notation for phenyl 2-fluoroethanesulfinate?
The canonical SMILES for phenyl 2-fluoroethanesulfinate is O=S(CCF)Oc1ccccc1.
What is the InChIKey of phenyl 2-fluoroethanesulfinate?
The InChIKey is DKONUPNZUHJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of phenyl 2-fluoroethanesulfinate?
phenyl 2-fluoroethanesulfinate has a molecular weight of 188.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-fluoroethanesulfinate is sourced from PubChem (CID 91127696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).