ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene

C16H14FO2S- — CID 174385310

IUPACethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene
SMILESC=CS(=O)[O-].Fc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11F.C2H4O2S/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;1-2-5(3)4/h1-11H;2H,1H2,(H,3,4)/p-1/b7-6+;
InChIKeyKDORZIRJPZPTBR-UHDJGPCESA-M
MW289.35 g/mol
LogP4.01
Rot. Bonds3

About ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene

ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene (PubChem CID 174385310) has the molecular formula C16H14FO2S- and a molecular weight of 289.35 g/mol. Its IUPAC name is ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Nameethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene
PubChem CID174385310
Molecular FormulaC16H14FO2S-
Molecular Weight289.35 g/mol
Exact Mass289.07
IUPAC Nameethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene
SMILESC=CS(=O)[O-].Fc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11F.C2H4O2S/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;1-2-5(3)4/h1-11H;2H,1H2,(H,3,4)/p-1/b7-6+;
InChIKeyKDORZIRJPZPTBR-UHDJGPCESA-M
XLogP4.01
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene (CID 174385310) is ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene is C=CS(=O)[O-].Fc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is KDORZIRJPZPTBR-UHDJGPCESA-M. The full InChI is InChI=1S/C14H11F.C2H4O2S/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;1-2-5(3)4/h1-11H;2H,1H2,(H,3,4)/p-1/b7-6+;.
What are the key properties of ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene?
ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 289.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 174385310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).