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

C15H10F2O3S — CID 117183047

IUPAC7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C(COc2cccc(F)c2)=Cc2cccc(F)c21
InChIInChI=1S/C15H10F2O3S/c16-11-4-2-5-12(8-11)20-9-13-7-10-3-1-6-14(17)15(10)21(13,18)19/h1-8H,9H2
InChIKeyPIMWTFYBEKLRIR-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.17
Rot. Bonds3

About 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide

7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide (PubChem CID 117183047) has the molecular formula C15H10F2O3S and a molecular weight of 308.31 g/mol. Its IUPAC name is 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
PubChem CID117183047
Molecular FormulaC15H10F2O3S
Molecular Weight308.31 g/mol
Exact Mass308.03
IUPAC Name7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C(COc2cccc(F)c2)=Cc2cccc(F)c21
InChIInChI=1S/C15H10F2O3S/c16-11-4-2-5-12(8-11)20-9-13-7-10-3-1-6-14(17)15(10)21(13,18)19/h1-8H,9H2
InChIKeyPIMWTFYBEKLRIR-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-[(3-fluorophenoxy)methyl]-7-methyl-1-benzothiophene 1,1-dioxide
CID 117186407
2-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)acetaldehyde
CID 117196736
2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol
CID 117183061
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
3-[(3-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117170658
6-fluoro-2-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117179574
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
1-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)ethanone
CID 117196743
3-[(3-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117177878
N'-[2-(3-fluorophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 2670466
2-[(4-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117172610
4-fluoro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173305

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide (CID 117183047) is 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide is O=S1(=O)C(COc2cccc(F)c2)=Cc2cccc(F)c21.
What is the InChIKey of 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
The InChIKey is PIMWTFYBEKLRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O3S/c16-11-4-2-5-12(8-11)20-9-13-7-10-3-1-6-14(17)15(10)21(13,18)19/h1-8H,9H2.
What are the key properties of 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide?
7-fluoro-2-[(3-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 7-fluoro-2-[(3-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117183047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).