6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol

C9H5F3OS — CID 130788372

IUPAC6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol
SMILESOc1cc2c(F)csc2cc1C(F)F
InChIInChI=1S/C9H5F3OS/c10-6-3-14-8-2-5(9(11)12)7(13)1-4(6)8/h1-3,9,13H
InChIKeyMQUYVXXXWGASPJ-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.68
Rot. Bonds1

About 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol

6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol (PubChem CID 130788372) has the molecular formula C9H5F3OS and a molecular weight of 218.20 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol
PubChem CID130788372
Molecular FormulaC9H5F3OS
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Name6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol
SMILESOc1cc2c(F)csc2cc1C(F)F
InChIInChI=1S/C9H5F3OS/c10-6-3-14-8-2-5(9(11)12)7(13)1-4(6)8/h1-3,9,13H
InChIKeyMQUYVXXXWGASPJ-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol (CID 130788372) is 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol is Oc1cc2c(F)csc2cc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol?
The InChIKey is MQUYVXXXWGASPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3OS/c10-6-3-14-8-2-5(9(11)12)7(13)1-4(6)8/h1-3,9,13H.
What are the key properties of 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol?
6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol has a molecular weight of 218.20 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol is sourced from PubChem (CID 130788372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).