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

C16H16F2S — CID 158727603

IUPAC4,6-difluoro-3,7-dimethyldibenzothiophene;ethane
SMILESCC.Cc1ccc2c(sc3c(F)c(C)ccc32)c1F
InChIInChI=1S/C14H10F2S.C2H6/c1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyIKRYVSRDFXNMIT-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.98
Rot. Bonds

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

4,6-difluoro-3,7-dimethyldibenzothiophene;ethane (PubChem CID 158727603) has the molecular formula C16H16F2S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane.

Molecular Properties

Compound Name4,6-difluoro-3,7-dimethyldibenzothiophene;ethane
PubChem CID158727603
Molecular FormulaC16H16F2S
Molecular Weight278.37 g/mol
Exact Mass278.09
IUPAC Name4,6-difluoro-3,7-dimethyldibenzothiophene;ethane
SMILESCC.Cc1ccc2c(sc3c(F)c(C)ccc32)c1F
InChIInChI=1S/C14H10F2S.C2H6/c1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-2/h3-6H,1-2H3;1-2H3
InChIKeyIKRYVSRDFXNMIT-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane?
The IUPAC name of 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane (CID 158727603) is 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane.
What is the SMILES notation for 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane?
The canonical SMILES for 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane is CC.Cc1ccc2c(sc3c(F)c(C)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane?
The InChIKey is IKRYVSRDFXNMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2S.C2H6/c1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane?
4,6-difluoro-3,7-dimethyldibenzothiophene;ethane has a molecular weight of 278.37 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3,7-dimethyldibenzothiophene;ethane is sourced from PubChem (CID 158727603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).