5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol

C15H10F4O4S — CID 118183727

IUPAC5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol
SMILESCC1(O)c2cc(Oc3cc(F)cc(F)c3)ccc2S(=O)(=O)C1(F)F
InChIInChI=1S/C15H10F4O4S/c1-14(20)12-7-10(23-11-5-8(16)4-9(17)6-11)2-3-13(12)24(21,22)15(14,18)19/h2-7,20H,1H3
InChIKeySDDJYIZHHLZEGX-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.34
Rot. Bonds2

About 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol

5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol (PubChem CID 118183727) has the molecular formula C15H10F4O4S and a molecular weight of 362.30 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol
PubChem CID118183727
Molecular FormulaC15H10F4O4S
Molecular Weight362.30 g/mol
Exact Mass362.02
IUPAC Name5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol
SMILESCC1(O)c2cc(Oc3cc(F)cc(F)c3)ccc2S(=O)(=O)C1(F)F
InChIInChI=1S/C15H10F4O4S/c1-14(20)12-7-10(23-11-5-8(16)4-9(17)6-11)2-3-13(12)24(21,22)15(14,18)19/h2-7,20H,1H3
InChIKeySDDJYIZHHLZEGX-UHFFFAOYSA-N
XLogP3.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol?
The IUPAC name of 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol (CID 118183727) is 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol.
What is the SMILES notation for 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol?
The canonical SMILES for 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol is CC1(O)c2cc(Oc3cc(F)cc(F)c3)ccc2S(=O)(=O)C1(F)F.
What is the InChIKey of 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol?
The InChIKey is SDDJYIZHHLZEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O4S/c1-14(20)12-7-10(23-11-5-8(16)4-9(17)6-11)2-3-13(12)24(21,22)15(14,18)19/h2-7,20H,1H3.
What are the key properties of 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol?
5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol has a molecular weight of 362.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-2,2-difluoro-3-methyl-1,1-dioxo-1-benzothiophen-3-ol is sourced from PubChem (CID 118183727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).