6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene

C15H10F2OS — CID 117179791

IUPAC6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene
SMILESFc1ccc2cc(COc3ccccc3F)sc2c1
InChIInChI=1S/C15H10F2OS/c16-11-6-5-10-7-12(19-15(10)8-11)9-18-14-4-2-1-3-13(14)17/h1-8H,9H2
InChIKeyUXNHLOXABLTQGZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.76
Rot. Bonds3

About 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene

6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene (PubChem CID 117179791) has the molecular formula C15H10F2OS and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene
PubChem CID117179791
Molecular FormulaC15H10F2OS
Molecular Weight276.31 g/mol
Exact Mass276.04
IUPAC Name6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene
SMILESFc1ccc2cc(COc3ccccc3F)sc2c1
InChIInChI=1S/C15H10F2OS/c16-11-6-5-10-7-12(19-15(10)8-11)9-18-14-4-2-1-3-13(14)17/h1-8H,9H2
InChIKeyUXNHLOXABLTQGZ-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene?
The IUPAC name of 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene (CID 117179791) is 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene.
What is the SMILES notation for 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene?
The canonical SMILES for 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene is Fc1ccc2cc(COc3ccccc3F)sc2c1.
What is the InChIKey of 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene?
The InChIKey is UXNHLOXABLTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2OS/c16-11-6-5-10-7-12(19-15(10)8-11)9-18-14-4-2-1-3-13(14)17/h1-8H,9H2.
What are the key properties of 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene?
6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene has a molecular weight of 276.31 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene is sourced from PubChem (CID 117179791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).