4,5-dichloro-7-fluoro-1-benzothiophene

C8H3Cl2FS — CID 131053718

IUPAC4,5-dichloro-7-fluoro-1-benzothiophene
SMILESFc1cc(Cl)c(Cl)c2ccsc12
InChIInChI=1S/C8H3Cl2FS/c9-5-3-6(11)8-4(7(5)10)1-2-12-8/h1-3H
InChIKeyMGPIRPDNXNYVNP-UHFFFAOYSA-N
MW221.08 g/mol
LogP4.35
Rot. Bonds

About 4,5-dichloro-7-fluoro-1-benzothiophene

4,5-dichloro-7-fluoro-1-benzothiophene (PubChem CID 131053718) has the molecular formula C8H3Cl2FS and a molecular weight of 221.08 g/mol. Its IUPAC name is 4,5-dichloro-7-fluoro-1-benzothiophene.

Molecular Properties

Compound Name4,5-dichloro-7-fluoro-1-benzothiophene
PubChem CID131053718
Molecular FormulaC8H3Cl2FS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name4,5-dichloro-7-fluoro-1-benzothiophene
SMILESFc1cc(Cl)c(Cl)c2ccsc12
InChIInChI=1S/C8H3Cl2FS/c9-5-3-6(11)8-4(7(5)10)1-2-12-8/h1-3H
InChIKeyMGPIRPDNXNYVNP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4,5-dichloro-7-fluoro-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
CID 130785826
6-chloro-7-ethoxy-4-fluoro-1-benzothiophene
CID 130826535
7-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131029208
7,8-dichlorothiochromen-4-one
CID 130051374
4,7-dichloro-1-benzothiophene-5-carbonitrile
CID 91882062
4,5,6-trichloro-1-benzothiophene
CID 91440805
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 131146400
7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-7-fluoro-1-benzothiophene?
The IUPAC name of 4,5-dichloro-7-fluoro-1-benzothiophene (CID 131053718) is 4,5-dichloro-7-fluoro-1-benzothiophene.
What is the SMILES notation for 4,5-dichloro-7-fluoro-1-benzothiophene?
The canonical SMILES for 4,5-dichloro-7-fluoro-1-benzothiophene is Fc1cc(Cl)c(Cl)c2ccsc12.
What is the InChIKey of 4,5-dichloro-7-fluoro-1-benzothiophene?
The InChIKey is MGPIRPDNXNYVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FS/c9-5-3-6(11)8-4(7(5)10)1-2-12-8/h1-3H.
What are the key properties of 4,5-dichloro-7-fluoro-1-benzothiophene?
4,5-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 4,5-dichloro-7-fluoro-1-benzothiophene is sourced from PubChem (CID 131053718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).