5,7-dichloro-3-(difluoromethyl)-1-benzothiophene

C9H4Cl2F2S — CID 131198019

IUPAC5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1csc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H4Cl2F2S/c10-4-1-5-6(9(12)13)3-14-8(5)7(11)2-4/h1-3,9H
InChIKeyKXFGDXHXPYTKCA-UHFFFAOYSA-N
MW253.10 g/mol
LogP5.15
Rot. Bonds1

About 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene

5,7-dichloro-3-(difluoromethyl)-1-benzothiophene (PubChem CID 131198019) has the molecular formula C9H4Cl2F2S and a molecular weight of 253.10 g/mol. Its IUPAC name is 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
PubChem CID131198019
Molecular FormulaC9H4Cl2F2S
Molecular Weight253.10 g/mol
Exact Mass251.94
IUPAC Name5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1csc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H4Cl2F2S/c10-4-1-5-6(9(12)13)3-14-8(5)7(11)2-4/h1-3,9H
InChIKeyKXFGDXHXPYTKCA-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

3-(difluoromethyl)-5-fluoro-1-benzothiophene-7-thiol
CID 130803205
3,5-dichloro-7-fluoro-1-benzothiophene
CID 130884776
4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
CID 131119349
3-(difluoromethyl)-5,6-difluoro-1-benzothiophene
CID 131029323
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
CID 130785826
3-chloro-7-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792661
6-amino-3-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130854955
7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131053830
6-chloro-4-(difluoromethyl)-1-benzothiophene-3-thiol
CID 130885364
5-chloro-6-(difluoromethyl)-1-benzothiophene-3-thiol
CID 131146110
2,6-dichloro-4-(difluoromethyl)-1-benzothiophene
CID 131197710
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene?
The IUPAC name of 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene (CID 131198019) is 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene.
What is the SMILES notation for 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene?
The canonical SMILES for 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene is FC(F)c1csc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene?
The InChIKey is KXFGDXHXPYTKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F2S/c10-4-1-5-6(9(12)13)3-14-8(5)7(11)2-4/h1-3,9H.
What are the key properties of 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene?
5,7-dichloro-3-(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 5,7-dichloro-3-(difluoromethyl)-1-benzothiophene is sourced from PubChem (CID 131198019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).