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

C11H9FO2S — CID 90061889

IUPAC2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
SMILESFc1cccc2c(C3OCCO3)csc12
InChIInChI=1S/C11H9FO2S/c12-9-3-1-2-7-8(6-15-10(7)9)11-13-4-5-14-11/h1-3,6,11H,4-5H2
InChIKeyKRMWVMDSBKUUIS-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.09
Rot. Bonds1

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

2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane (PubChem CID 90061889) has the molecular formula C11H9FO2S and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
PubChem CID90061889
Molecular FormulaC11H9FO2S
Molecular Weight224.26 g/mol
Exact Mass224.03
IUPAC Name2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane
SMILESFc1cccc2c(C3OCCO3)csc12
InChIInChI=1S/C11H9FO2S/c12-9-3-1-2-7-8(6-15-10(7)9)11-13-4-5-14-11/h1-3,6,11H,4-5H2
InChIKeyKRMWVMDSBKUUIS-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(4,6-Difluoro-1-benzothiophen-3-yl)methyl acetate
CID 53976146
8-(5-Fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 58975498
2-(2,7-Difluoro-1-benzothiophen-3-yl)-1,3-dioxolane
CID 90061888
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

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
The IUPAC name of 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane (CID 90061889) is 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
The canonical SMILES for 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane is Fc1cccc2c(C3OCCO3)csc12.
What is the InChIKey of 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
The InChIKey is KRMWVMDSBKUUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2S/c12-9-3-1-2-7-8(6-15-10(7)9)11-13-4-5-14-11/h1-3,6,11H,4-5H2.
What are the key properties of 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane?
2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane has a molecular weight of 224.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzothiophen-3-yl)-1,3-dioxolane is sourced from PubChem (CID 90061889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).