2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide

C15H12F2O4S — CID 10663870

IUPAC2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide
SMILESCC(C)Oc1ccc2c(c1)Oc1cc(F)c(F)cc1S2(=O)=O
InChIInChI=1S/C15H12F2O4S/c1-8(2)20-9-3-4-14-12(5-9)21-13-6-10(16)11(17)7-15(13)22(14,18)19/h3-8H,1-2H3
InChIKeyRCXFZEXULKBUTF-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.69
Rot. Bonds2

About 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide

2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide (PubChem CID 10663870) has the molecular formula C15H12F2O4S and a molecular weight of 326.32 g/mol. Its IUPAC name is 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide
PubChem CID10663870
Molecular FormulaC15H12F2O4S
Molecular Weight326.32 g/mol
Exact Mass326.04
IUPAC Name2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide
SMILESCC(C)Oc1ccc2c(c1)Oc1cc(F)c(F)cc1S2(=O)=O
InChIInChI=1S/C15H12F2O4S/c1-8(2)20-9-3-4-14-12(5-9)21-13-6-10(16)11(17)7-15(13)22(14,18)19/h3-8H,1-2H3
InChIKeyRCXFZEXULKBUTF-UHFFFAOYSA-N
XLogP3.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide?
The IUPAC name of 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide (CID 10663870) is 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide.
What is the SMILES notation for 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide?
The canonical SMILES for 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide is CC(C)Oc1ccc2c(c1)Oc1cc(F)c(F)cc1S2(=O)=O.
What is the InChIKey of 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide?
The InChIKey is RCXFZEXULKBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4S/c1-8(2)20-9-3-4-14-12(5-9)21-13-6-10(16)11(17)7-15(13)22(14,18)19/h3-8H,1-2H3.
What are the key properties of 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide?
2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide has a molecular weight of 326.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-7-propan-2-yloxyphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10663870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).