5-(difluoromethoxy)-6-methoxy-1-benzothiophene

C10H8F2O2S — CID 70054930

IUPAC5-(difluoromethoxy)-6-methoxy-1-benzothiophene
SMILESCOc1cc2sccc2cc1OC(F)F
InChIInChI=1S/C10H8F2O2S/c1-13-7-5-9-6(2-3-15-9)4-8(7)14-10(11)12/h2-5,10H,1H3
InChIKeyPPCQYTKYTYATOF-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.51
Rot. Bonds3

About 5-(difluoromethoxy)-6-methoxy-1-benzothiophene

5-(difluoromethoxy)-6-methoxy-1-benzothiophene (PubChem CID 70054930) has the molecular formula C10H8F2O2S and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-(difluoromethoxy)-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-(difluoromethoxy)-6-methoxy-1-benzothiophene
PubChem CID70054930
Molecular FormulaC10H8F2O2S
Molecular Weight230.24 g/mol
Exact Mass230.02
IUPAC Name5-(difluoromethoxy)-6-methoxy-1-benzothiophene
SMILESCOc1cc2sccc2cc1OC(F)F
InChIInChI=1S/C10H8F2O2S/c1-13-7-5-9-6(2-3-15-9)4-8(7)14-10(11)12/h2-5,10H,1H3
InChIKeyPPCQYTKYTYATOF-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene
CID 24818799
Isupsl-cho-4-396A
CID 44142398
3-[5,6-Dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]prop-2-yn-1-ol
CID 44202210
2-Acetyl-5,6-dimethoxy-benzo[b]thiophene
CID 23035250
5-Methoxy-1-benzothiophene
CID 3632425
4-Methoxy-benzo(b)thiophene
CID 12623869
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(4-methoxyphenyl)-1-benzothiophene
CID 25058316
4-[5,6-Dimethoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenol
CID 25058340
Isupsl-cho-5-457
CID 44142487
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methoxy-2-(4-methylsulfanylphenyl)-1-benzothiophene
CID 44202246
5,6-dimethoxy-2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
CID 44202250
(5-Methoxy-1-benzothiophen-2-yl)boronic acid
CID 21706311

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-6-methoxy-1-benzothiophene?
The IUPAC name of 5-(difluoromethoxy)-6-methoxy-1-benzothiophene (CID 70054930) is 5-(difluoromethoxy)-6-methoxy-1-benzothiophene.
What is the SMILES notation for 5-(difluoromethoxy)-6-methoxy-1-benzothiophene?
The canonical SMILES for 5-(difluoromethoxy)-6-methoxy-1-benzothiophene is COc1cc2sccc2cc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-6-methoxy-1-benzothiophene?
The InChIKey is PPCQYTKYTYATOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2S/c1-13-7-5-9-6(2-3-15-9)4-8(7)14-10(11)12/h2-5,10H,1H3.
What are the key properties of 5-(difluoromethoxy)-6-methoxy-1-benzothiophene?
5-(difluoromethoxy)-6-methoxy-1-benzothiophene has a molecular weight of 230.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-6-methoxy-1-benzothiophene is sourced from PubChem (CID 70054930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).