5-(difluoromethoxy)-1-benzothiophene

C9H6F2OS — CID 90740549

IUPAC5-(difluoromethoxy)-1-benzothiophene
SMILESFC(F)Oc1ccc2sccc2c1
InChIInChI=1S/C9H6F2OS/c10-9(11)12-7-1-2-8-6(5-7)3-4-13-8/h1-5,9H
InChIKeyBJAOFHDTTXILKI-UHFFFAOYSA-N
MW200.21 g/mol
LogP3.50
Rot. Bonds2

About 5-(difluoromethoxy)-1-benzothiophene

5-(difluoromethoxy)-1-benzothiophene (PubChem CID 90740549) has the molecular formula C9H6F2OS and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-benzothiophene
PubChem CID90740549
Molecular FormulaC9H6F2OS
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name5-(difluoromethoxy)-1-benzothiophene
SMILESFC(F)Oc1ccc2sccc2c1
InChIInChI=1S/C9H6F2OS/c10-9(11)12-7-1-2-8-6(5-7)3-4-13-8/h1-5,9H
InChIKeyBJAOFHDTTXILKI-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-benzothiophene?
The IUPAC name of 5-(difluoromethoxy)-1-benzothiophene (CID 90740549) is 5-(difluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 5-(difluoromethoxy)-1-benzothiophene?
The canonical SMILES for 5-(difluoromethoxy)-1-benzothiophene is FC(F)Oc1ccc2sccc2c1.
What is the InChIKey of 5-(difluoromethoxy)-1-benzothiophene?
The InChIKey is BJAOFHDTTXILKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2OS/c10-9(11)12-7-1-2-8-6(5-7)3-4-13-8/h1-5,9H.
What are the key properties of 5-(difluoromethoxy)-1-benzothiophene?
5-(difluoromethoxy)-1-benzothiophene has a molecular weight of 200.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 90740549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).