10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene

C14H9F3O2S — CID 54052841

IUPAC10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene
SMILESCc1cc2ccc1c1c(S(=O)(=O)C(F)(F)F)cccc21
InChIInChI=1S/C14H9F3O2S/c1-8-7-9-5-6-10(8)13-11(9)3-2-4-12(13)20(18,19)14(15,16)17/h2-7H,1H3
InChIKeyQJMYYSRPBDDRHK-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.03
Rot. Bonds1

About 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene

10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene (PubChem CID 54052841) has the molecular formula C14H9F3O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene
PubChem CID54052841
Molecular FormulaC14H9F3O2S
Molecular Weight298.29 g/mol
Exact Mass298.03
IUPAC Name10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene
SMILESCc1cc2ccc1c1c(S(=O)(=O)C(F)(F)F)cccc21
InChIInChI=1S/C14H9F3O2S/c1-8-7-9-5-6-10(8)13-11(9)3-2-4-12(13)20(18,19)14(15,16)17/h2-7H,1H3
InChIKeyQJMYYSRPBDDRHK-UHFFFAOYSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene?
The IUPAC name of 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene (CID 54052841) is 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene is Cc1cc2ccc1c1c(S(=O)(=O)C(F)(F)F)cccc21.
What is the InChIKey of 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene?
The InChIKey is QJMYYSRPBDDRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2S/c1-8-7-9-5-6-10(8)13-11(9)3-2-4-12(13)20(18,19)14(15,16)17/h2-7H,1H3.
What are the key properties of 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene?
10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene has a molecular weight of 298.29 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(trifluoromethylsulfonyl)tricyclo[6.2.2.02,7]dodeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 54052841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).