1-(trifluoromethyl)phenoxathiine 10,10-dioxide

C13H7F3O3S — CID 10637921

IUPAC1-(trifluoromethyl)phenoxathiine 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H7F3O3S/c14-13(15,16)8-4-3-6-10-12(8)20(17,18)11-7-2-1-5-9(11)19-10/h1-7H
InChIKeyQBLMGOBATXACLR-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.64
Rot. Bonds

About 1-(trifluoromethyl)phenoxathiine 10,10-dioxide

1-(trifluoromethyl)phenoxathiine 10,10-dioxide (PubChem CID 10637921) has the molecular formula C13H7F3O3S and a molecular weight of 300.26 g/mol. Its IUPAC name is 1-(trifluoromethyl)phenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-(trifluoromethyl)phenoxathiine 10,10-dioxide
PubChem CID10637921
Molecular FormulaC13H7F3O3S
Molecular Weight300.26 g/mol
Exact Mass300.01
IUPAC Name1-(trifluoromethyl)phenoxathiine 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H7F3O3S/c14-13(15,16)8-4-3-6-10-12(8)20(17,18)11-7-2-1-5-9(11)19-10/h1-7H
InChIKeyQBLMGOBATXACLR-UHFFFAOYSA-N
XLogP3.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)phenoxathiine 10,10-dioxide?
The IUPAC name of 1-(trifluoromethyl)phenoxathiine 10,10-dioxide (CID 10637921) is 1-(trifluoromethyl)phenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-(trifluoromethyl)phenoxathiine 10,10-dioxide?
The canonical SMILES for 1-(trifluoromethyl)phenoxathiine 10,10-dioxide is O=S1(=O)c2ccccc2Oc2cccc(C(F)(F)F)c21.
What is the InChIKey of 1-(trifluoromethyl)phenoxathiine 10,10-dioxide?
The InChIKey is QBLMGOBATXACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O3S/c14-13(15,16)8-4-3-6-10-12(8)20(17,18)11-7-2-1-5-9(11)19-10/h1-7H.
What are the key properties of 1-(trifluoromethyl)phenoxathiine 10,10-dioxide?
1-(trifluoromethyl)phenoxathiine 10,10-dioxide has a molecular weight of 300.26 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)phenoxathiine 10,10-dioxide is sourced from PubChem (CID 10637921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).