2,6-dichloro-4-(difluoromethyl)-1-benzothiophene

C9H4Cl2F2S — CID 131197710

IUPAC2,6-dichloro-4-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1cc(Cl)cc2sc(Cl)cc12
InChIInChI=1S/C9H4Cl2F2S/c10-4-1-6(9(12)13)5-3-8(11)14-7(5)2-4/h1-3,9H
InChIKeyCAFIMHQZFYMIMA-UHFFFAOYSA-N
MW253.10 g/mol
LogP5.15
Rot. Bonds1

About 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene

2,6-dichloro-4-(difluoromethyl)-1-benzothiophene (PubChem CID 131197710) has the molecular formula C9H4Cl2F2S and a molecular weight of 253.10 g/mol. Its IUPAC name is 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name2,6-dichloro-4-(difluoromethyl)-1-benzothiophene
PubChem CID131197710
Molecular FormulaC9H4Cl2F2S
Molecular Weight253.10 g/mol
Exact Mass251.94
IUPAC Name2,6-dichloro-4-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1cc(Cl)cc2sc(Cl)cc12
InChIInChI=1S/C9H4Cl2F2S/c10-4-1-6(9(12)13)5-3-8(11)14-7(5)2-4/h1-3,9H
InChIKeyCAFIMHQZFYMIMA-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

2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene
CID 130803877
6-chloro-4-(difluoromethyl)-1-benzothiophene-3-thiol
CID 130885364
4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
CID 131119349
5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
CID 131198019
2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995717
5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene
CID 171003499
5-chloro-6-(difluoromethyl)-1-benzothiophene-3-thiol
CID 131146110
6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene
CID 130901229
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
3-(difluoromethyl)-5,6-difluoro-1-benzothiophene
CID 131029323
2-chloro-6-ethyl-1-benzothiophene-4-thiol
CID 131190909
3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
CID 130805604

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene?
The IUPAC name of 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene (CID 131197710) is 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene.
What is the SMILES notation for 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene?
The canonical SMILES for 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene is FC(F)c1cc(Cl)cc2sc(Cl)cc12.
What is the InChIKey of 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene?
The InChIKey is CAFIMHQZFYMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F2S/c10-4-1-6(9(12)13)5-3-8(11)14-7(5)2-4/h1-3,9H.
What are the key properties of 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene?
2,6-dichloro-4-(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 2,6-dichloro-4-(difluoromethyl)-1-benzothiophene is sourced from PubChem (CID 131197710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).