3-ethoxy-4,6-difluorodibenzothiophene

C14H10F2OS — CID 118451709

IUPAC3-ethoxy-4,6-difluorodibenzothiophene
SMILESCCOc1ccc2c(sc3c(F)cccc32)c1F
InChIInChI=1S/C14H10F2OS/c1-2-17-11-7-6-9-8-4-3-5-10(15)13(8)18-14(9)12(11)16/h3-7H,2H2,1H3
InChIKeyMMHOENQDGWCBNZ-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.73
Rot. Bonds2

About 3-ethoxy-4,6-difluorodibenzothiophene

3-ethoxy-4,6-difluorodibenzothiophene (PubChem CID 118451709) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-ethoxy-4,6-difluorodibenzothiophene.

Molecular Properties

Compound Name3-ethoxy-4,6-difluorodibenzothiophene
PubChem CID118451709
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name3-ethoxy-4,6-difluorodibenzothiophene
SMILESCCOc1ccc2c(sc3c(F)cccc32)c1F
InChIInChI=1S/C14H10F2OS/c1-2-17-11-7-6-9-8-4-3-5-10(15)13(8)18-14(9)12(11)16/h3-7H,2H2,1H3
InChIKeyMMHOENQDGWCBNZ-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,6-difluorodibenzothiophene?
The IUPAC name of 3-ethoxy-4,6-difluorodibenzothiophene (CID 118451709) is 3-ethoxy-4,6-difluorodibenzothiophene.
What is the SMILES notation for 3-ethoxy-4,6-difluorodibenzothiophene?
The canonical SMILES for 3-ethoxy-4,6-difluorodibenzothiophene is CCOc1ccc2c(sc3c(F)cccc32)c1F.
What is the InChIKey of 3-ethoxy-4,6-difluorodibenzothiophene?
The InChIKey is MMHOENQDGWCBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c1-2-17-11-7-6-9-8-4-3-5-10(15)13(8)18-14(9)12(11)16/h3-7H,2H2,1H3.
What are the key properties of 3-ethoxy-4,6-difluorodibenzothiophene?
3-ethoxy-4,6-difluorodibenzothiophene has a molecular weight of 264.30 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,6-difluorodibenzothiophene is sourced from PubChem (CID 118451709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).