2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol

C9H5F2IOS — CID 130985696

IUPAC2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol
SMILESOc1ccc2sc(C(F)F)c(I)c2c1
InChIInChI=1S/C9H5F2IOS/c10-9(11)8-7(12)5-3-4(13)1-2-6(5)14-8/h1-3,9,13H
InChIKeyHZRQSMLLCGCXRS-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.15
Rot. Bonds1

About 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol

2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol (PubChem CID 130985696) has the molecular formula C9H5F2IOS and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol
PubChem CID130985696
Molecular FormulaC9H5F2IOS
Molecular Weight326.11 g/mol
Exact Mass325.91
IUPAC Name2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol
SMILESOc1ccc2sc(C(F)F)c(I)c2c1
InChIInChI=1S/C9H5F2IOS/c10-9(11)8-7(12)5-3-4(13)1-2-6(5)14-8/h1-3,9,13H
InChIKeyHZRQSMLLCGCXRS-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol
CID 131096899
3-bromo-2-(difluoromethyl)-1-benzothiophen-6-ol
CID 131096713
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
CID 58448893
2-(difluoromethyl)-5-iodo-1-benzothiophen-3-amine
CID 130884051
5-hydroxy-2-iodo-1-benzothiophene-3-carboxylic acid
CID 130913412
2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130788515
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
3-bromo-5-hydroxy-1-benzothiophene-2-carboxylic acid
CID 84809916
2-amino-3-ethyl-1-benzothiophen-5-ol
CID 131080497
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
2-amino-3-nitro-1-benzothiophen-5-ol
CID 131031307
2-chloro-3-methoxy-1-benzothiophen-5-ol
CID 130792465

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol?
The IUPAC name of 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol (CID 130985696) is 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol is Oc1ccc2sc(C(F)F)c(I)c2c1.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol?
The InChIKey is HZRQSMLLCGCXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2IOS/c10-9(11)8-7(12)5-3-4(13)1-2-6(5)14-8/h1-3,9,13H.
What are the key properties of 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol?
2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol has a molecular weight of 326.11 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol is sourced from PubChem (CID 130985696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).