4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide

C15H10F2O3S — CID 117170643

IUPAC4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(COc2ccccc2F)c2c(F)cccc21
InChIInChI=1S/C15H10F2O3S/c16-11-4-1-2-6-13(11)20-8-10-9-21(18,19)14-7-3-5-12(17)15(10)14/h1-7,9H,8H2
InChIKeyQQOJQZKHIFMLSP-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.17
Rot. Bonds3

About 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide

4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide (PubChem CID 117170643) has the molecular formula C15H10F2O3S and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
PubChem CID117170643
Molecular FormulaC15H10F2O3S
Molecular Weight308.31 g/mol
Exact Mass308.03
IUPAC Name4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(COc2ccccc2F)c2c(F)cccc21
InChIInChI=1S/C15H10F2O3S/c16-11-4-1-2-6-13(11)20-8-10-9-21(18,19)14-7-3-5-12(17)15(10)14/h1-7,9H,8H2
InChIKeyQQOJQZKHIFMLSP-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

3-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117170648
4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophene 1,1-dioxide
CID 117170717
2-(4-fluoro-1,1-dioxo-1-benzothiophen-3-yl)acetaldehyde
CID 117194808
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117181295
4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117172579
3-[(4-methylphenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-amine
CID 117170668
3-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117170664
2-[(2-fluorophenoxy)methyl]-1,3-thiazole 1,1-dioxide
CID 117186882
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
CID 117172586
2-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,3-thiazol-5-amine
CID 117188080
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide (CID 117170643) is 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide is O=S1(=O)C=C(COc2ccccc2F)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The InChIKey is QQOJQZKHIFMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O3S/c16-11-4-1-2-6-13(11)20-8-10-9-21(18,19)14-7-3-5-12(17)15(10)14/h1-7,9H,8H2.
What are the key properties of 4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
4-fluoro-3-[(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-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117170643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).