3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene

C19H14F4O2S — CID 170268610

IUPAC3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
SMILESFC(F)=COc1ccc2c(sc3c(F)c(OC4CCCC4)ccc32)c1F
InChIInChI=1S/C19H14F4O2S/c20-15(21)9-24-13-7-5-11-12-6-8-14(25-10-3-1-2-4-10)17(23)19(12)26-18(11)16(13)22/h5-10H,1-4H2
InChIKeyIDLOIJSDXZUFJI-UHFFFAOYSA-N
MW382.38 g/mol
LogP6.77
Rot. Bonds4

About 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene

3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene (PubChem CID 170268610) has the molecular formula C19H14F4O2S and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene.

Molecular Properties

Compound Name3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
PubChem CID170268610
Molecular FormulaC19H14F4O2S
Molecular Weight382.38 g/mol
Exact Mass382.07
IUPAC Name3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
SMILESFC(F)=COc1ccc2c(sc3c(F)c(OC4CCCC4)ccc32)c1F
InChIInChI=1S/C19H14F4O2S/c20-15(21)9-24-13-7-5-11-12-6-8-14(25-10-3-1-2-4-10)17(23)19(12)26-18(11)16(13)22/h5-10H,1-4H2
InChIKeyIDLOIJSDXZUFJI-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.38
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
CID 170268603
3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran
CID 170268630
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene
CID 166927086
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850
4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane
CID 159323591
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751
(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene?
The IUPAC name of 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene (CID 170268610) is 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene.
What is the SMILES notation for 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene?
The canonical SMILES for 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene is FC(F)=COc1ccc2c(sc3c(F)c(OC4CCCC4)ccc32)c1F.
What is the InChIKey of 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene?
The InChIKey is IDLOIJSDXZUFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4O2S/c20-15(21)9-24-13-7-5-11-12-6-8-14(25-10-3-1-2-4-10)17(23)19(12)26-18(11)16(13)22/h5-10H,1-4H2.
What are the key properties of 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene?
3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene has a molecular weight of 382.38 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene is sourced from PubChem (CID 170268610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).