4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide

C15H10F2O3S — CID 117172579

IUPAC4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C(COc2ccccc2F)=Cc2c(F)cccc21
InChIInChI=1S/C15H10F2O3S/c16-12-5-3-7-15-11(12)8-10(21(15,18)19)9-20-14-6-2-1-4-13(14)17/h1-8H,9H2
InChIKeyVCFMNLGFAWCLJV-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.17
Rot. Bonds3

About 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide

4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide (PubChem CID 117172579) has the molecular formula C15H10F2O3S and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
PubChem CID117172579
Molecular FormulaC15H10F2O3S
Molecular Weight308.31 g/mol
Exact Mass308.03
IUPAC Name4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C(COc2ccccc2F)=Cc2c(F)cccc21
InChIInChI=1S/C15H10F2O3S/c16-12-5-3-7-15-11(12)8-10(21(15,18)19)9-20-14-6-2-1-4-13(14)17/h1-8H,9H2
InChIKeyVCFMNLGFAWCLJV-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
CID 117172586
4-fluoro-2-(propan-2-yloxymethyl)-1-benzothiophene 1,1-dioxide
CID 117172652
4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117170643
[1,1-dioxo-2-(phenoxymethyl)-1-benzothiophen-4-yl]methanamine
CID 117172475
2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine
CID 117188080
2-[(2-fluorophenoxy)methyl]-1,3-thiazole 1,1-dioxide
CID 117186882
2-[(6-amino-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
CID 117179578
5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid
CID 117217533
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 103978417
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide (CID 117172579) is 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide is O=S1(=O)C(COc2ccccc2F)=Cc2c(F)cccc21.
What is the InChIKey of 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The InChIKey is VCFMNLGFAWCLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O3S/c16-12-5-3-7-15-11(12)8-10(21(15,18)19)9-20-14-6-2-1-4-13(14)17/h1-8H,9H2.
What are the key properties of 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide has a molecular weight of 308.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117172579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).