2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol

C10H8F2OS — CID 130914398

IUPAC2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol
SMILESCc1ccc(O)c2sc(C(F)F)cc12
InChIInChI=1S/C10H8F2OS/c1-5-2-3-7(13)9-6(5)4-8(14-9)10(11)12/h2-4,10,13H,1H3
InChIKeyGCYZUOSRLIIALU-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.85
Rot. Bonds1

About 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol

2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol (PubChem CID 130914398) has the molecular formula C10H8F2OS and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol
PubChem CID130914398
Molecular FormulaC10H8F2OS
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol
SMILESCc1ccc(O)c2sc(C(F)F)cc12
InChIInChI=1S/C10H8F2OS/c1-5-2-3-7(13)9-6(5)4-8(14-9)10(11)12/h2-4,10,13H,1H3
InChIKeyGCYZUOSRLIIALU-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131075839
7-(difluoromethyl)-4-methyl-1-benzothiophene-2-thiol
CID 131034069
5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol
CID 130955547
2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine
CID 130805372
4-bromo-2-(difluoromethyl)-6-methyl-1-benzothiophene
CID 131146346
4-chloro-2-fluoro-1-benzothiophen-7-ol
CID 130865403
2-(difluoromethoxy)-3,4-dimethylphenol
CID 131190309
7-chloro-2-fluoro-4-methyl-1-benzothiophene
CID 131169637
4,7-dimethyl-1-benzothiophen-2-amine
CID 131095149
5-fluoro-2-methylphenol
CID 2774616
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
2-amino-4-methyl-1,3-benzothiazol-7-ol
CID 171560062

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol?
The IUPAC name of 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol (CID 130914398) is 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol is Cc1ccc(O)c2sc(C(F)F)cc12.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol?
The InChIKey is GCYZUOSRLIIALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2OS/c1-5-2-3-7(13)9-6(5)4-8(14-9)10(11)12/h2-4,10,13H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol?
2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol has a molecular weight of 214.24 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol is sourced from PubChem (CID 130914398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).