ethane;trifluoromethylsulfonylbenzene

C9H11F3O2S — CID 144556552

IUPACethane;trifluoromethylsulfonylbenzene
SMILESCC.O=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2S.C2H6/c8-7(9,10)13(11,12)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3
InChIKeyHPYKWDQFPAJSFT-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.01
Rot. Bonds1

About ethane;trifluoromethylsulfonylbenzene

ethane;trifluoromethylsulfonylbenzene (PubChem CID 144556552) has the molecular formula C9H11F3O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is ethane;trifluoromethylsulfonylbenzene.

Molecular Properties

Compound Nameethane;trifluoromethylsulfonylbenzene
PubChem CID144556552
Molecular FormulaC9H11F3O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC Nameethane;trifluoromethylsulfonylbenzene
SMILESCC.O=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2S.C2H6/c8-7(9,10)13(11,12)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3
InChIKeyHPYKWDQFPAJSFT-UHFFFAOYSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.01
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
(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
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
1-Fluoro-4-(methylsulphonyl)benzene
CID 67994

Frequently Asked Questions

What is the IUPAC name of ethane;trifluoromethylsulfonylbenzene?
The IUPAC name of ethane;trifluoromethylsulfonylbenzene (CID 144556552) is ethane;trifluoromethylsulfonylbenzene.
What is the SMILES notation for ethane;trifluoromethylsulfonylbenzene?
The canonical SMILES for ethane;trifluoromethylsulfonylbenzene is CC.O=S(=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of ethane;trifluoromethylsulfonylbenzene?
The InChIKey is HPYKWDQFPAJSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S.C2H6/c8-7(9,10)13(11,12)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3.
What are the key properties of ethane;trifluoromethylsulfonylbenzene?
ethane;trifluoromethylsulfonylbenzene has a molecular weight of 240.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trifluoromethylsulfonylbenzene is sourced from PubChem (CID 144556552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).