2,2,2-trifluoroethylsulfonylbenzene

C8H7F3O2S — CID 12578046

IUPAC2,2,2-trifluoroethylsulfonylbenzene
SMILESO=S(=O)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H7F3O2S/c9-8(10,11)6-14(12,13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyZMLUMHDKFJARJL-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.02
Rot. Bonds2

About 2,2,2-trifluoroethylsulfonylbenzene

2,2,2-trifluoroethylsulfonylbenzene (PubChem CID 12578046) has the molecular formula C8H7F3O2S and a molecular weight of 224.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethylsulfonylbenzene.

Molecular Properties

Compound Name2,2,2-trifluoroethylsulfonylbenzene
PubChem CID12578046
Molecular FormulaC8H7F3O2S
Molecular Weight224.20 g/mol
Exact Mass224.01
IUPAC Name2,2,2-trifluoroethylsulfonylbenzene
SMILESO=S(=O)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H7F3O2S/c9-8(10,11)6-14(12,13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyZMLUMHDKFJARJL-UHFFFAOYSA-N
XLogP2.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyl sulfone
CID 31386
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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylsulfonylbenzene?
The IUPAC name of 2,2,2-trifluoroethylsulfonylbenzene (CID 12578046) is 2,2,2-trifluoroethylsulfonylbenzene.
What is the SMILES notation for 2,2,2-trifluoroethylsulfonylbenzene?
The canonical SMILES for 2,2,2-trifluoroethylsulfonylbenzene is O=S(=O)(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoroethylsulfonylbenzene?
The InChIKey is ZMLUMHDKFJARJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2S/c9-8(10,11)6-14(12,13)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2,2,2-trifluoroethylsulfonylbenzene?
2,2,2-trifluoroethylsulfonylbenzene has a molecular weight of 224.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylsulfonylbenzene is sourced from PubChem (CID 12578046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).