3,5-dichloro-7-fluoro-1-benzothiophene

C8H3Cl2FS — CID 130884776

IUPAC3,5-dichloro-7-fluoro-1-benzothiophene
SMILESFc1cc(Cl)cc2c(Cl)csc12
InChIInChI=1S/C8H3Cl2FS/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-3H
InChIKeyIKMKZBLRNNPECT-UHFFFAOYSA-N
MW221.08 g/mol
LogP4.35
Rot. Bonds

About 3,5-dichloro-7-fluoro-1-benzothiophene

3,5-dichloro-7-fluoro-1-benzothiophene (PubChem CID 130884776) has the molecular formula C8H3Cl2FS and a molecular weight of 221.08 g/mol. Its IUPAC name is 3,5-dichloro-7-fluoro-1-benzothiophene.

Molecular Properties

Compound Name3,5-dichloro-7-fluoro-1-benzothiophene
PubChem CID130884776
Molecular FormulaC8H3Cl2FS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name3,5-dichloro-7-fluoro-1-benzothiophene
SMILESFc1cc(Cl)cc2c(Cl)csc12
InChIInChI=1S/C8H3Cl2FS/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-3H
InChIKeyIKMKZBLRNNPECT-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-7-fluoro-3-methoxy-1-benzothiophene
CID 130866178
5-chloro-3-fluoro-1-benzothiophen-7-ol
CID 130969635
5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
CID 131198019
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
3,7-dichloro-5-(chloromethyl)-1-benzothiophene
CID 131169653
1,5-dichloro-3-fluoro-2-iodobenzene
CID 50998607
magnesium;1,4-dichloro-2-fluorobenzene-6-ide;bromide
CID 133143364
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
4-chloro-7-fluoro-1-benzothiophen-2-ol
CID 130805629
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-7-fluoro-1-benzothiophene?
The IUPAC name of 3,5-dichloro-7-fluoro-1-benzothiophene (CID 130884776) is 3,5-dichloro-7-fluoro-1-benzothiophene.
What is the SMILES notation for 3,5-dichloro-7-fluoro-1-benzothiophene?
The canonical SMILES for 3,5-dichloro-7-fluoro-1-benzothiophene is Fc1cc(Cl)cc2c(Cl)csc12.
What is the InChIKey of 3,5-dichloro-7-fluoro-1-benzothiophene?
The InChIKey is IKMKZBLRNNPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FS/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-3H.
What are the key properties of 3,5-dichloro-7-fluoro-1-benzothiophene?
3,5-dichloro-7-fluoro-1-benzothiophene has a molecular weight of 221.08 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-7-fluoro-1-benzothiophene is sourced from PubChem (CID 130884776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).