4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane

C16H16F2O2S — CID 159323591

IUPAC4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane
SMILESCC.COc1ccc2c(sc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C14H10F2O2S.C2H6/c1-17-9-5-3-7-8-4-6-10(18-2)12(16)14(8)19-13(7)11(9)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyLEBQDLOBDPPTJT-UHFFFAOYSA-N
MW310.37 g/mol
LogP5.38
Rot. Bonds2

About 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane

4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane (PubChem CID 159323591) has the molecular formula C16H16F2O2S and a molecular weight of 310.37 g/mol. Its IUPAC name is 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane.

Molecular Properties

Compound Name4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane
PubChem CID159323591
Molecular FormulaC16H16F2O2S
Molecular Weight310.37 g/mol
Exact Mass310.08
IUPAC Name4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane
SMILESCC.COc1ccc2c(sc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C14H10F2O2S.C2H6/c1-17-9-5-3-7-8-4-6-10(18-2)12(16)14(8)19-13(7)11(9)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyLEBQDLOBDPPTJT-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041
4,6-difluoro-3-methoxy-7-propan-2-yloxydibenzothiophene
CID 169258981
4,6-difluoro-3-methoxy-7-(trifluoromethylperoxy)dibenzothiophene
CID 134381380
3-butoxy-4,6-difluoro-7-methoxydibenzothiophene
CID 118458293
4,6-difluoro-3,7-dimethyldibenzothiophene;ethane
CID 158727603
7-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 130792106
3-butoxy-4,6-difluoro-7-propoxydibenzothiophene
CID 118458302
7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
CID 130839755
3-butoxy-4,6-difluoro-7-hexoxydibenzothiophene
CID 118458309
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxyboronic acid
CID 172852469
3-(cyclopent-3-en-1-ylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene
CID 170293379

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane?
The IUPAC name of 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane (CID 159323591) is 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane.
What is the SMILES notation for 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane?
The canonical SMILES for 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane is CC.COc1ccc2c(sc3c(F)c(OC)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane?
The InChIKey is LEBQDLOBDPPTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2S.C2H6/c1-17-9-5-3-7-8-4-6-10(18-2)12(16)14(8)19-13(7)11(9)15;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane?
4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane has a molecular weight of 310.37 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane is sourced from PubChem (CID 159323591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).