trifluoromethylsulfonylbenzene

C7H5F3O2S — CID 555605

IUPACtrifluoromethylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChIKeyUPGBQYFXKAKWQC-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.98
Rot. Bonds1

About trifluoromethylsulfonylbenzene

trifluoromethylsulfonylbenzene (PubChem CID 555605) has the molecular formula C7H5F3O2S and a molecular weight of 210.18 g/mol. Its IUPAC name is trifluoromethylsulfonylbenzene.

Molecular Properties

Compound Nametrifluoromethylsulfonylbenzene
PubChem CID555605
Molecular FormulaC7H5F3O2S
Molecular Weight210.18 g/mol
Exact Mass210.00
IUPAC Nametrifluoromethylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChIKeyUPGBQYFXKAKWQC-UHFFFAOYSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenesulfonyl chloride
CID 7369
Diphenyl sulfone
CID 31386
Benzenesulfonyl fluoride
CID 67779
Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
4-Fluorobenzenesulfonyl chloride
CID 9588
2,4-Difluorobenzenesulfonamide
CID 574964
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
Methyl phenyl sulfoxide
CID 14516
(Ethylsulphonyl)benzene
CID 69032
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842

Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfonylbenzene?
The IUPAC name of trifluoromethylsulfonylbenzene (CID 555605) is trifluoromethylsulfonylbenzene.
What is the SMILES notation for trifluoromethylsulfonylbenzene?
The canonical SMILES for trifluoromethylsulfonylbenzene is O=S(=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of trifluoromethylsulfonylbenzene?
The InChIKey is UPGBQYFXKAKWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H.
What are the key properties of trifluoromethylsulfonylbenzene?
trifluoromethylsulfonylbenzene has a molecular weight of 210.18 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonylbenzene is sourced from PubChem (CID 555605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).