5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol

C9H5ClF2OS — CID 130955547

IUPAC5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol
SMILESOc1cc(Cl)cc2cc(C(F)F)sc12
InChIInChI=1S/C9H5ClF2OS/c10-5-1-4-2-7(9(11)12)14-8(4)6(13)3-5/h1-3,9,13H
InChIKeySNKGBYYVXSFTRP-UHFFFAOYSA-N
MW234.65 g/mol
LogP4.20
Rot. Bonds1

About 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol

5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol (PubChem CID 130955547) has the molecular formula C9H5ClF2OS and a molecular weight of 234.65 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol
PubChem CID130955547
Molecular FormulaC9H5ClF2OS
Molecular Weight234.65 g/mol
Exact Mass233.97
IUPAC Name5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol
SMILESOc1cc(Cl)cc2cc(C(F)F)sc12
InChIInChI=1S/C9H5ClF2OS/c10-5-1-4-2-7(9(11)12)14-8(4)6(13)3-5/h1-3,9,13H
InChIKeySNKGBYYVXSFTRP-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol
CID 130914398
2-(difluoromethyl)-7-fluoro-1-benzothiophene-6-thiol
CID 130803203
5-chloro-3-fluoro-1-benzothiophen-7-ol
CID 130969635
2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
CID 84692457
[2-(difluoromethyl)-1-benzothiophen-5-yl]boronic acid
CID 167731429
3-chloronaphthalen-1-ol
CID 23423080
2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
5-bromo-2-(difluoromethyl)-1-benzothiophene
CID 84710979
7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol
CID 131034357
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 119019383
2,5-dichloro-1-benzothiophene-7-carboxylic acid
CID 131029438
5-bromo-2-(difluoromethyl)-1-benzothiophene-6-thiol
CID 130898445

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol?
The IUPAC name of 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol (CID 130955547) is 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol is Oc1cc(Cl)cc2cc(C(F)F)sc12.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol?
The InChIKey is SNKGBYYVXSFTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2OS/c10-5-1-4-2-7(9(11)12)14-8(4)6(13)3-5/h1-3,9,13H.
What are the key properties of 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol?
5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol has a molecular weight of 234.65 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol is sourced from PubChem (CID 130955547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).