2-(trifluoromethylsulfanyl)-1-benzofuran

C9H5F3OS — CID 162412464

IUPAC2-(trifluoromethylsulfanyl)-1-benzofuran
SMILESFC(F)(F)Sc1cc2ccccc2o1
InChIInChI=1S/C9H5F3OS/c10-9(11,12)14-8-5-6-3-1-2-4-7(6)13-8/h1-5H
InChIKeyTVJUGHILXHCMTM-UHFFFAOYSA-N
MW218.20 g/mol
LogP4.04
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)-1-benzofuran

2-(trifluoromethylsulfanyl)-1-benzofuran (PubChem CID 162412464) has the molecular formula C9H5F3OS and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)-1-benzofuran.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)-1-benzofuran
PubChem CID162412464
Molecular FormulaC9H5F3OS
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Name2-(trifluoromethylsulfanyl)-1-benzofuran
SMILESFC(F)(F)Sc1cc2ccccc2o1
InChIInChI=1S/C9H5F3OS/c10-9(11,12)14-8-5-6-3-1-2-4-7(6)13-8/h1-5H
InChIKeyTVJUGHILXHCMTM-UHFFFAOYSA-N
XLogP4.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)-1-benzofuran?
The IUPAC name of 2-(trifluoromethylsulfanyl)-1-benzofuran (CID 162412464) is 2-(trifluoromethylsulfanyl)-1-benzofuran.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)-1-benzofuran?
The canonical SMILES for 2-(trifluoromethylsulfanyl)-1-benzofuran is FC(F)(F)Sc1cc2ccccc2o1.
What is the InChIKey of 2-(trifluoromethylsulfanyl)-1-benzofuran?
The InChIKey is TVJUGHILXHCMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3OS/c10-9(11,12)14-8-5-6-3-1-2-4-7(6)13-8/h1-5H.
What are the key properties of 2-(trifluoromethylsulfanyl)-1-benzofuran?
2-(trifluoromethylsulfanyl)-1-benzofuran has a molecular weight of 218.20 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)-1-benzofuran is sourced from PubChem (CID 162412464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).