[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene

C9H7F3O2S — CID 10988246

IUPAC[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
SMILESO=S(=O)(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7F3O2S/c10-9(11,12)15(13,14)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyZQPWGPDGDWTNJR-VOTSOKGWSA-N
MW236.21 g/mol
LogP2.59
Rot. Bonds2

About [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene

[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene (PubChem CID 10988246) has the molecular formula C9H7F3O2S and a molecular weight of 236.21 g/mol. Its IUPAC name is [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
PubChem CID10988246
Molecular FormulaC9H7F3O2S
Molecular Weight236.21 g/mol
Exact Mass236.01
IUPAC Name[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
SMILESO=S(=O)(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7F3O2S/c10-9(11,12)15(13,14)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyZQPWGPDGDWTNJR-VOTSOKGWSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 161089433
CID 161089433
CID 159387083
CID 159387083
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
stilbene;sulfuric acid
CID 67612140
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
[(1Z,3E)-4-phenylbuta-1,3-dienyl] trifluoromethanesulfonate
CID 125475043
carboxy 2-phenylethenesulfonate
CID 174718044
(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 55702806
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
[(E)-4,4-bis(trifluoromethylsulfonyl)but-1-enyl]benzene
CID 102192017
(E)-2-phenylethenesulfonic acid;prop-2-enoic acid
CID 87308391
2-(2-phenylethenylsulfonyl)prop-2-enoic acid
CID 151592955

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene?
The IUPAC name of [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene (CID 10988246) is [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene.
What is the SMILES notation for [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene?
The canonical SMILES for [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene is O=S(=O)(/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene?
The InChIKey is ZQPWGPDGDWTNJR-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H7F3O2S/c10-9(11,12)15(13,14)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene?
[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene has a molecular weight of 236.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene is sourced from PubChem (CID 10988246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).