7-chloro-5-fluoro-3-methyl-1-benzothiophene

C9H6ClFS — CID 91881897

IUPAC7-chloro-5-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cl)cc(F)cc12
InChIInChI=1S/C9H6ClFS/c1-5-4-12-9-7(5)2-6(11)3-8(9)10/h2-4H,1H3
InChIKeyNZULUHSXVIVXHF-UHFFFAOYSA-N
MW200.67 g/mol
LogP4.00
Rot. Bonds

About 7-chloro-5-fluoro-3-methyl-1-benzothiophene

7-chloro-5-fluoro-3-methyl-1-benzothiophene (PubChem CID 91881897) has the molecular formula C9H6ClFS and a molecular weight of 200.67 g/mol. Its IUPAC name is 7-chloro-5-fluoro-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-5-fluoro-3-methyl-1-benzothiophene
PubChem CID91881897
Molecular FormulaC9H6ClFS
Molecular Weight200.67 g/mol
Exact Mass199.99
IUPAC Name7-chloro-5-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cl)cc(F)cc12
InChIInChI=1S/C9H6ClFS/c1-5-4-12-9-7(5)2-6(11)3-8(9)10/h2-4H,1H3
InChIKeyNZULUHSXVIVXHF-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-ethyl-5-fluoro-1-benzothiophene
CID 130805932
7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene
CID 142472643
3-ethyl-5-fluoro-7-methyl-1-benzothiophene
CID 131060314
7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
CID 135380136
7-fluoro-3-methyl-1-benzothiophene-5-diazonium chloride
CID 71330381
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
7-chloro-5-fluoro-3-methyl-1H-indole;ethane
CID 143713524
7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294
3,5-dimethyl-1-benzothiophene-7-thiol
CID 131098252
2-bromo-1-chloro-5-fluoro-3-methylbenzene
CID 50998614
3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol
CID 130944026
7-chloro-6-ethyl-3-methyl-1-benzothiophene
CID 91881894

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-3-methyl-1-benzothiophene?
The IUPAC name of 7-chloro-5-fluoro-3-methyl-1-benzothiophene (CID 91881897) is 7-chloro-5-fluoro-3-methyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-5-fluoro-3-methyl-1-benzothiophene?
The canonical SMILES for 7-chloro-5-fluoro-3-methyl-1-benzothiophene is Cc1csc2c(Cl)cc(F)cc12.
What is the InChIKey of 7-chloro-5-fluoro-3-methyl-1-benzothiophene?
The InChIKey is NZULUHSXVIVXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFS/c1-5-4-12-9-7(5)2-6(11)3-8(9)10/h2-4H,1H3.
What are the key properties of 7-chloro-5-fluoro-3-methyl-1-benzothiophene?
7-chloro-5-fluoro-3-methyl-1-benzothiophene has a molecular weight of 200.67 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-3-methyl-1-benzothiophene is sourced from PubChem (CID 91881897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).