6-bromo-5-(difluoromethoxy)-1-benzothiophene

C9H5BrF2OS — CID 135200232

IUPAC6-bromo-5-(difluoromethoxy)-1-benzothiophene
SMILESFC(F)Oc1cc2ccsc2cc1Br
InChIInChI=1S/C9H5BrF2OS/c10-6-4-8-5(1-2-14-8)3-7(6)13-9(11)12/h1-4,9H
InChIKeyXBCXPHDNLKTZIC-UHFFFAOYSA-N
MW279.10 g/mol
LogP4.27
Rot. Bonds2

About 6-bromo-5-(difluoromethoxy)-1-benzothiophene

6-bromo-5-(difluoromethoxy)-1-benzothiophene (PubChem CID 135200232) has the molecular formula C9H5BrF2OS and a molecular weight of 279.10 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-5-(difluoromethoxy)-1-benzothiophene
PubChem CID135200232
Molecular FormulaC9H5BrF2OS
Molecular Weight279.10 g/mol
Exact Mass277.92
IUPAC Name6-bromo-5-(difluoromethoxy)-1-benzothiophene
SMILESFC(F)Oc1cc2ccsc2cc1Br
InChIInChI=1S/C9H5BrF2OS/c10-6-4-8-5(1-2-14-8)3-7(6)13-9(11)12/h1-4,9H
InChIKeyXBCXPHDNLKTZIC-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethoxy)-1-benzothiophene?
The IUPAC name of 6-bromo-5-(difluoromethoxy)-1-benzothiophene (CID 135200232) is 6-bromo-5-(difluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 6-bromo-5-(difluoromethoxy)-1-benzothiophene?
The canonical SMILES for 6-bromo-5-(difluoromethoxy)-1-benzothiophene is FC(F)Oc1cc2ccsc2cc1Br.
What is the InChIKey of 6-bromo-5-(difluoromethoxy)-1-benzothiophene?
The InChIKey is XBCXPHDNLKTZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2OS/c10-6-4-8-5(1-2-14-8)3-7(6)13-9(11)12/h1-4,9H.
What are the key properties of 6-bromo-5-(difluoromethoxy)-1-benzothiophene?
6-bromo-5-(difluoromethoxy)-1-benzothiophene has a molecular weight of 279.10 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 135200232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).