6-chloro-5-fluoro-2-methyl-1-benzothiophene

C9H6ClFS — CID 20759995

IUPAC6-chloro-5-fluoro-2-methyl-1-benzothiophene
SMILESCc1cc2cc(F)c(Cl)cc2s1
InChIInChI=1S/C9H6ClFS/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4H,1H3
InChIKeyWNZYPWYUDWBQIJ-UHFFFAOYSA-N
MW200.66 g/mol
LogP4.00
Rot. Bonds

About 6-chloro-5-fluoro-2-methyl-1-benzothiophene

6-chloro-5-fluoro-2-methyl-1-benzothiophene (PubChem CID 20759995) has the molecular formula C9H6ClFS and a molecular weight of 200.66 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-methyl-1-benzothiophene
PubChem CID20759995
Molecular FormulaC9H6ClFS
Molecular Weight200.66 g/mol
Exact Mass199.99
IUPAC Name6-chloro-5-fluoro-2-methyl-1-benzothiophene
SMILESCc1cc2cc(F)c(Cl)cc2s1
InChIInChI=1S/C9H6ClFS/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4H,1H3
InChIKeyWNZYPWYUDWBQIJ-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 ≤ 500200.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-methyl-1-benzothiophene?
The IUPAC name of 6-chloro-5-fluoro-2-methyl-1-benzothiophene (CID 20759995) is 6-chloro-5-fluoro-2-methyl-1-benzothiophene.
What is the SMILES notation for 6-chloro-5-fluoro-2-methyl-1-benzothiophene?
The canonical SMILES for 6-chloro-5-fluoro-2-methyl-1-benzothiophene is Cc1cc2cc(F)c(Cl)cc2s1.
What is the InChIKey of 6-chloro-5-fluoro-2-methyl-1-benzothiophene?
The InChIKey is WNZYPWYUDWBQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFS/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4H,1H3.
What are the key properties of 6-chloro-5-fluoro-2-methyl-1-benzothiophene?
6-chloro-5-fluoro-2-methyl-1-benzothiophene has a molecular weight of 200.66 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 6-chloro-5-fluoro-2-methyl-1-benzothiophene is sourced from PubChem (CID 20759995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).