[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene

C9H7F3O2S — CID 13499149

IUPAC[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
SMILESO=S(=O)(/C=C\C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H7F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-7H/b7-6-
InChIKeyMXCAYGIFNXCLMK-SREVYHEPSA-N
MW236.21 g/mol
LogP2.54
Rot. Bonds2

About [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene

[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene (PubChem CID 13499149) has the molecular formula C9H7F3O2S and a molecular weight of 236.21 g/mol. Its IUPAC name is [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
PubChem CID13499149
Molecular FormulaC9H7F3O2S
Molecular Weight236.21 g/mol
Exact Mass236.01
IUPAC Name[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
SMILESO=S(=O)(/C=C\C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H7F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-7H/b7-6-
InChIKeyMXCAYGIFNXCLMK-SREVYHEPSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Phenylsulphonylacetonitrile
CID 82077
Acrylonitrile, 3-(phenylsulfonyl)-
CID 1711930
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
(Ethylsulphonyl)benzene
CID 69032
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
((2-Chloroethyl)sulphonyl)benzene
CID 13646
trans-1,2-Bis(phenylsulfonyl)ethylene
CID 5367099
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556

Frequently Asked Questions

What is the IUPAC name of [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
The IUPAC name of [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene (CID 13499149) is [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
The canonical SMILES for [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene is O=S(=O)(/C=C\C(F)(F)F)c1ccccc1.
What is the InChIKey of [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
The InChIKey is MXCAYGIFNXCLMK-SREVYHEPSA-N. The full InChI is InChI=1S/C9H7F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-7H/b7-6-.
What are the key properties of [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene has a molecular weight of 236.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene is sourced from PubChem (CID 13499149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).