2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane

C11H8F2O2S — CID 90061888

IUPAC2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane
SMILESFc1sc2c(F)cccc2c1C1OCCO1
InChIInChI=1S/C11H8F2O2S/c12-7-3-1-2-6-8(10(13)16-9(6)7)11-14-4-5-15-11/h1-3,11H,4-5H2
InChIKeyIEZGAPIOYXONRT-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.22
Rot. Bonds1

About 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane

2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane (PubChem CID 90061888) has the molecular formula C11H8F2O2S and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane
PubChem CID90061888
Molecular FormulaC11H8F2O2S
Molecular Weight242.25 g/mol
Exact Mass242.02
IUPAC Name2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane
SMILESFc1sc2c(F)cccc2c1C1OCCO1
InChIInChI=1S/C11H8F2O2S/c12-7-3-1-2-6-8(10(13)16-9(6)7)11-14-4-5-15-11/h1-3,11H,4-5H2
InChIKeyIEZGAPIOYXONRT-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane with MolForge

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Related Compounds

2-[4-[2-(2-Ethyl-1-benzothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-pentylthiophen-2-yl]-1,3-dioxolane
CID 101467301
2-(5-(3-Fluoro-benzyl)thiophen-2-yl)-[1,3]dioxolane
CID 23130519
2-(5-(2-Fluoro-benzyl)-thiophen-2-yl)-[1,3]dioxolane
CID 23130567
2-(5-(4-Fluoro-benzyl)-thiophen-2-yl)-[1,3]dioxolane
CID 23130648
2,6,7-Trifluoro-3-(methoxymethyl)-1-benzothiophene
CID 67275676
2-(7-Fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
CID 90061889
3-(1,3-Dioxolan-2-yl)-7-fluoro-1-benzothiophene-2-carbaldehyde
CID 90062250
N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine
CID 90062251
3-(1,3-Dioxolan-2-yl)-7-fluoro-1-benzothiophene-2-carbonitrile
CID 90062254
2-[7-Fluoro-2-(nitrosomethyl)-1-benzothiophen-3-yl]-1,3-dioxolane
CID 123829257
1-[3-(1,3-Dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]ethanone
CID 131981925
2-(4,5,6,7-Tetrafluoro-2-benzothiophen-1-yl)-1,3-dioxolane
CID 140129338

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
The IUPAC name of 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane (CID 90061888) is 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
The canonical SMILES for 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane is Fc1sc2c(F)cccc2c1C1OCCO1.
What is the InChIKey of 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
The InChIKey is IEZGAPIOYXONRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O2S/c12-7-3-1-2-6-8(10(13)16-9(6)7)11-14-4-5-15-11/h1-3,11H,4-5H2.
What are the key properties of 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane has a molecular weight of 242.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-difluoro-1-benzothiophen-3-yl)-1,3-dioxolane is sourced from PubChem (CID 90061888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).