3,4-dichloro-2-fluoro-1-benzothiophene

C8H3Cl2FS — CID 130870260

IUPAC3,4-dichloro-2-fluoro-1-benzothiophene
SMILESFc1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C8H3Cl2FS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3H
InChIKeyDSABHZMSEPXGSZ-UHFFFAOYSA-N
MW221.08 g/mol
LogP4.35
Rot. Bonds

About 3,4-dichloro-2-fluoro-1-benzothiophene

3,4-dichloro-2-fluoro-1-benzothiophene (PubChem CID 130870260) has the molecular formula C8H3Cl2FS and a molecular weight of 221.08 g/mol. Its IUPAC name is 3,4-dichloro-2-fluoro-1-benzothiophene.

Molecular Properties

Compound Name3,4-dichloro-2-fluoro-1-benzothiophene
PubChem CID130870260
Molecular FormulaC8H3Cl2FS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name3,4-dichloro-2-fluoro-1-benzothiophene
SMILESFc1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C8H3Cl2FS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3H
InChIKeyDSABHZMSEPXGSZ-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

9-chlorodibenzothiophen-4-ol
CID 166591681
(3-amino-4-chloro-1-benzothiophen-2-yl)methanol
CID 131030958
4-chloro-2-methyl-1-benzothiophen-3-ol
CID 130793528
3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
2,4-difluoro-1-benzothiophene-3-thiol
CID 130971711
4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
3-(chloromethyl)-2-fluoro-1-benzothiophen-4-ol
CID 130970873
11-chloronaphtho[2,1-b][1]benzothiole
CID 166503443
5-bromo-7-chloronaphtho[1,2-b][1]benzothiole
CID 166135113
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
4-chloro-2-iodo-1-benzothiophene-3-carbaldehyde
CID 131014353
2,4,9-trichloro-[1]benzothiolo[3,2-d]pyrimidine
CID 146606356

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-fluoro-1-benzothiophene?
The IUPAC name of 3,4-dichloro-2-fluoro-1-benzothiophene (CID 130870260) is 3,4-dichloro-2-fluoro-1-benzothiophene.
What is the SMILES notation for 3,4-dichloro-2-fluoro-1-benzothiophene?
The canonical SMILES for 3,4-dichloro-2-fluoro-1-benzothiophene is Fc1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-2-fluoro-1-benzothiophene?
The InChIKey is DSABHZMSEPXGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3H.
What are the key properties of 3,4-dichloro-2-fluoro-1-benzothiophene?
3,4-dichloro-2-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 3,4-dichloro-2-fluoro-1-benzothiophene is sourced from PubChem (CID 130870260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).