6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide

C10H9FO3S — CID 117179625

IUPAC6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide
SMILESCOCC1=Cc2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C10H9FO3S/c1-14-6-9-4-7-2-3-8(11)5-10(7)15(9,12)13/h2-5H,6H2,1H3
InChIKeyJKOWSZDIEXQHGG-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.60
Rot. Bonds2

About 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide

6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide (PubChem CID 117179625) has the molecular formula C10H9FO3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide
PubChem CID117179625
Molecular FormulaC10H9FO3S
Molecular Weight228.24 g/mol
Exact Mass228.03
IUPAC Name6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide
SMILESCOCC1=Cc2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C10H9FO3S/c1-14-6-9-4-7-2-3-8(11)5-10(7)15(9,12)13/h2-5H,6H2,1H3
InChIKeyJKOWSZDIEXQHGG-UHFFFAOYSA-N
XLogP1.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanamine
CID 117122521
5-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117176178
2-[(4-methylphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117179595
2-(6-methoxy-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196017
2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117195882
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
CID 83876007
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene
CID 11347888

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide (CID 117179625) is 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide is COCC1=Cc2ccc(F)cc2S1(=O)=O.
What is the InChIKey of 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide?
The InChIKey is JKOWSZDIEXQHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3S/c1-14-6-9-4-7-2-3-8(11)5-10(7)15(9,12)13/h2-5H,6H2,1H3.
What are the key properties of 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide?
6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide has a molecular weight of 228.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(methoxymethyl)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117179625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).