2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane

C19H18F2O2S — CID 154950629

IUPAC2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane
SMILESCCCOc1ccc2c(sc3c(F)c(C4CCCO4)ccc32)c1F
InChIInChI=1S/C19H18F2O2S/c1-2-9-22-15-8-7-12-11-5-6-13(14-4-3-10-23-14)16(20)18(11)24-19(12)17(15)21/h5-8,14H,2-4,9-10H2,1H3
InChIKeyCDHJXBKAZAJCEC-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.97
Rot. Bonds4

About 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane

2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane (PubChem CID 154950629) has the molecular formula C19H18F2O2S and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane.

Molecular Properties

Compound Name2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane
PubChem CID154950629
Molecular FormulaC19H18F2O2S
Molecular Weight348.41 g/mol
Exact Mass348.10
IUPAC Name2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane
SMILESCCCOc1ccc2c(sc3c(F)c(C4CCCO4)ccc32)c1F
InChIInChI=1S/C19H18F2O2S/c1-2-9-22-15-8-7-12-11-5-6-13(14-4-3-10-23-14)16(20)18(11)24-19(12)17(15)21/h5-8,14H,2-4,9-10H2,1H3
InChIKeyCDHJXBKAZAJCEC-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-4,6-difluoro-7-propoxydibenzothiophene
CID 118458302
2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane
CID 166927056
3-butoxy-4,6-difluoro-7-hexoxydibenzothiophene
CID 118458309
7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene
CID 166927086
3-butoxy-4,6-difluoro-7-methoxydibenzothiophene
CID 118458293
2-[4,6-difluoro-7-(trifluoromethoxy)dibenzothiophen-3-yl]-1,3-dioxane
CID 137388170
3-[[4-(cyclopropylmethyl)cyclohexyl]methoxy]-4,6-difluoro-7-hexoxydibenzothiophene
CID 154962458
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
3-(cyclopropylmethyl)-7-ethoxy-4,6-difluorodibenzothiophene
CID 138465048
3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
CID 125470974
3-(cyclopent-3-en-1-ylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene
CID 170293379
7-(cyclopentylmethoxy)-4,6-difluoro-2-methyl-3-pentoxydibenzothiophene
CID 164546211

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane?
The IUPAC name of 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane (CID 154950629) is 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane.
What is the SMILES notation for 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane?
The canonical SMILES for 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane is CCCOc1ccc2c(sc3c(F)c(C4CCCO4)ccc32)c1F.
What is the InChIKey of 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane?
The InChIKey is CDHJXBKAZAJCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O2S/c1-2-9-22-15-8-7-12-11-5-6-13(14-4-3-10-23-14)16(20)18(11)24-19(12)17(15)21/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane?
2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane has a molecular weight of 348.41 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane is sourced from PubChem (CID 154950629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).