2-fluoro-3,4-dimethoxy-1-benzothiophene

C10H9FO2S — CID 130786112

IUPAC2-fluoro-3,4-dimethoxy-1-benzothiophene
SMILESCOc1cccc2sc(F)c(OC)c12
InChIInChI=1S/C10H9FO2S/c1-12-6-4-3-5-7-8(6)9(13-2)10(11)14-7/h3-5H,1-2H3
InChIKeyLBIWQZIUDWTTNH-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.06
Rot. Bonds2

About 2-fluoro-3,4-dimethoxy-1-benzothiophene

2-fluoro-3,4-dimethoxy-1-benzothiophene (PubChem CID 130786112) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name2-fluoro-3,4-dimethoxy-1-benzothiophene
PubChem CID130786112
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name2-fluoro-3,4-dimethoxy-1-benzothiophene
SMILESCOc1cccc2sc(F)c(OC)c12
InChIInChI=1S/C10H9FO2S/c1-12-6-4-3-5-7-8(6)9(13-2)10(11)14-7/h3-5H,1-2H3
InChIKeyLBIWQZIUDWTTNH-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-1-benzothiophen-2-amine
CID 130884124
3-chloro-4-methoxy-1-benzothiophene-2-thiol
CID 130969943
2-fluoro-1,4,8-trimethoxynaphthalene
CID 11253337
4-methoxy-1-benzothiophene-2,3-dicarbaldehyde
CID 155577490
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
3-bromo-4-methoxy-1-benzothiophene-2-carbaldehyde
CID 130901126
4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde
CID 130941215
4-methoxy-3-methyl-1,2-benzothiazole
CID 58327602
3-fluoro-4-iodo-2-methoxy-1-benzothiophene
CID 131145524
1,2,3,8-tetramethoxynaphthalene
CID 91328449
ethyl 4-methoxy-3-methyl-1-benzothiophene-2-carboxylate
CID 155577564
azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
CID 174894869

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4-dimethoxy-1-benzothiophene?
The IUPAC name of 2-fluoro-3,4-dimethoxy-1-benzothiophene (CID 130786112) is 2-fluoro-3,4-dimethoxy-1-benzothiophene.
What is the SMILES notation for 2-fluoro-3,4-dimethoxy-1-benzothiophene?
The canonical SMILES for 2-fluoro-3,4-dimethoxy-1-benzothiophene is COc1cccc2sc(F)c(OC)c12.
What is the InChIKey of 2-fluoro-3,4-dimethoxy-1-benzothiophene?
The InChIKey is LBIWQZIUDWTTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-12-6-4-3-5-7-8(6)9(13-2)10(11)14-7/h3-5H,1-2H3.
What are the key properties of 2-fluoro-3,4-dimethoxy-1-benzothiophene?
2-fluoro-3,4-dimethoxy-1-benzothiophene has a molecular weight of 212.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethoxy-1-benzothiophene is sourced from PubChem (CID 130786112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).