4,7-dichloro-6-(difluoromethyl)-1-benzothiophene

C9H4Cl2F2S — CID 130785826

IUPAC4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1cc(Cl)c2ccsc2c1Cl
InChIInChI=1S/C9H4Cl2F2S/c10-6-3-5(9(12)13)7(11)8-4(6)1-2-14-8/h1-3,9H
InChIKeyZAFXRCLEJYUAQU-UHFFFAOYSA-N
MW253.10 g/mol
LogP5.15
Rot. Bonds1

About 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene

4,7-dichloro-6-(difluoromethyl)-1-benzothiophene (PubChem CID 130785826) has the molecular formula C9H4Cl2F2S and a molecular weight of 253.10 g/mol. Its IUPAC name is 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
PubChem CID130785826
Molecular FormulaC9H4Cl2F2S
Molecular Weight253.10 g/mol
Exact Mass251.94
IUPAC Name4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1cc(Cl)c2ccsc2c1Cl
InChIInChI=1S/C9H4Cl2F2S/c10-6-3-5(9(12)13)7(11)8-4(6)1-2-14-8/h1-3,9H
InChIKeyZAFXRCLEJYUAQU-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.10
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131053830
5-chloro-4-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130956720
4,6-dichloro-1-benzothiophen-7-amine
CID 131198058
7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol
CID 131034357
4-(difluoromethyl)-1-benzothiophene-6,7-diamine
CID 130884046
4-chloro-1-benzothiophene-6,7-diamine
CID 131191037
4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
CID 130839261
7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
CID 130970948
7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
CID 131215693
4-bromo-6-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130855113

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene?
The IUPAC name of 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene (CID 130785826) is 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene.
What is the SMILES notation for 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene?
The canonical SMILES for 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene is FC(F)c1cc(Cl)c2ccsc2c1Cl.
What is the InChIKey of 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene?
The InChIKey is ZAFXRCLEJYUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F2S/c10-6-3-5(9(12)13)7(11)8-4(6)1-2-14-8/h1-3,9H.
What are the key properties of 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene?
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene has a molecular weight of 253.10 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-6-(difluoromethyl)-1-benzothiophene is sourced from PubChem (CID 130785826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).