4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

C15H10F4O4S — CID 118183702

IUPAC4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
SMILESO=S1(=O)CC(O)c2c1ccc(Oc1cc(F)cc(F)c1)c2C(F)F
InChIInChI=1S/C15H10F4O4S/c16-7-3-8(17)5-9(4-7)23-11-1-2-12-13(14(11)15(18)19)10(20)6-24(12,21)22/h1-5,10,15,20H,6H2
InChIKeyCAKHSDDIPZMKSB-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.52
Rot. Bonds3

About 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol (PubChem CID 118183702) has the molecular formula C15H10F4O4S and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
PubChem CID118183702
Molecular FormulaC15H10F4O4S
Molecular Weight362.30 g/mol
Exact Mass362.02
IUPAC Name4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
SMILESO=S1(=O)CC(O)c2c1ccc(Oc1cc(F)cc(F)c1)c2C(F)F
InChIInChI=1S/C15H10F4O4S/c16-7-3-8(17)5-9(4-7)23-11-1-2-12-13(14(11)15(18)19)10(20)6-24(12,21)22/h1-5,10,15,20H,6H2
InChIKeyCAKHSDDIPZMKSB-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The IUPAC name of 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol (CID 118183702) is 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol.
What is the SMILES notation for 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The canonical SMILES for 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol is O=S1(=O)CC(O)c2c1ccc(Oc1cc(F)cc(F)c1)c2C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The InChIKey is CAKHSDDIPZMKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O4S/c16-7-3-8(17)5-9(4-7)23-11-1-2-12-13(14(11)15(18)19)10(20)6-24(12,21)22/h1-5,10,15,20H,6H2.
What are the key properties of 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol has a molecular weight of 362.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol is sourced from PubChem (CID 118183702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).