4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol

C9H5BrF2OS — CID 130839261

IUPAC4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
SMILESOc1c(C(F)F)cc(Br)c2ccsc12
InChIInChI=1S/C9H5BrF2OS/c10-6-3-5(9(11)12)7(13)8-4(6)1-2-14-8/h1-3,9,13H
InChIKeyQYYDJXBDTHVCTQ-UHFFFAOYSA-N
MW279.10 g/mol
LogP4.31
Rot. Bonds1

About 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol

4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol (PubChem CID 130839261) has the molecular formula C9H5BrF2OS and a molecular weight of 279.10 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
PubChem CID130839261
Molecular FormulaC9H5BrF2OS
Molecular Weight279.10 g/mol
Exact Mass277.92
IUPAC Name4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
SMILESOc1c(C(F)F)cc(Br)c2ccsc12
InChIInChI=1S/C9H5BrF2OS/c10-6-3-5(9(11)12)7(13)8-4(6)1-2-14-8/h1-3,9,13H
InChIKeyQYYDJXBDTHVCTQ-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol?
The IUPAC name of 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol (CID 130839261) is 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol is Oc1c(C(F)F)cc(Br)c2ccsc12.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol?
The InChIKey is QYYDJXBDTHVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2OS/c10-6-3-5(9(11)12)7(13)8-4(6)1-2-14-8/h1-3,9,13H.
What are the key properties of 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol?
4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol has a molecular weight of 279.10 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol is sourced from PubChem (CID 130839261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).