1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene

C10H6F6O2S — CID 11426661

IUPAC1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene
SMILESC=CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H6F6O2S/c1-2-19(17,18)8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h2-5H,1H2
InChIKeyYKTOOQMDMSVWRO-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.64
Rot. Bonds2

About 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene

1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene (PubChem CID 11426661) has the molecular formula C10H6F6O2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene
PubChem CID11426661
Molecular FormulaC10H6F6O2S
Molecular Weight304.21 g/mol
Exact Mass304.00
IUPAC Name1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene
SMILESC=CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H6F6O2S/c1-2-19(17,18)8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h2-5H,1H2
InChIKeyYKTOOQMDMSVWRO-UHFFFAOYSA-N
XLogP3.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene (CID 11426661) is 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene is C=CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene?
The InChIKey is YKTOOQMDMSVWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2S/c1-2-19(17,18)8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h2-5H,1H2.
What are the key properties of 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene?
1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene has a molecular weight of 304.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 11426661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).