1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene

C17H14F2O2S2 — CID 173037264

IUPAC1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene
SMILESC=Cc1ccc(F)cc1.O=S=CS(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C9H7FO2S2.C8H7F/c10-9-3-1-8(2-4-9)5-6-14(12)7-13-11;1-2-7-3-5-8(9)6-4-7/h1-7H;2-6H,1H2
InChIKeyAGCFGEMTYWMRRZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.99
Rot. Bonds4

About 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene

1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene (PubChem CID 173037264) has the molecular formula C17H14F2O2S2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene
PubChem CID173037264
Molecular FormulaC17H14F2O2S2
Molecular Weight352.43 g/mol
Exact Mass352.04
IUPAC Name1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene
SMILESC=Cc1ccc(F)cc1.O=S=CS(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C9H7FO2S2.C8H7F/c10-9-3-1-8(2-4-9)5-6-14(12)7-13-11;1-2-7-3-5-8(9)6-4-7/h1-7H;2-6H,1H2
InChIKeyAGCFGEMTYWMRRZ-UHFFFAOYSA-N
XLogP3.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethenyl-4-fluorobenzene
CID 143529924
1-ethenyl-4-fluorobenzene;4-(4-fluorophenyl)-1-sulfonylbut-3-en-2-one
CID 173037324
ethenesulfinate;1-fluoro-4-[(E)-2-phenylethenyl]benzene
CID 174385310
1-bromo-4-(ethenylsulfinylmethyl)benzene;1-[[(E)-2-(4-bromophenyl)ethenyl]sulfinylmethyl]-4-fluorobenzene
CID 69363759
1-ethenyl-4-fluorobenzene;toluene
CID 170790144
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethenylsulfinyl]-1-iodobut-3-en-2-one
CID 173174188
1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
CID 66810700
1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene
CID 57384940
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543273
1-fluoro-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
CID 19780903
(E)-3-[4-[2-(4-ethenylphenoxy)ethoxy]phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 22026719

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene?
The IUPAC name of 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene (CID 173037264) is 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene.
What is the SMILES notation for 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene?
The canonical SMILES for 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene is C=Cc1ccc(F)cc1.O=S=CS(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene?
The InChIKey is AGCFGEMTYWMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2S2.C8H7F/c10-9-3-1-8(2-4-9)5-6-14(12)7-13-11;1-2-7-3-5-8(9)6-4-7/h1-7H;2-6H,1H2.
What are the key properties of 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene?
1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene has a molecular weight of 352.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene is sourced from PubChem (CID 173037264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).