2-chloro-3-fluoro-6-methyl-1-benzothiophene

C9H6ClFS — CID 129075511

IUPAC2-chloro-3-fluoro-6-methyl-1-benzothiophene
SMILESCc1ccc2c(F)c(Cl)sc2c1
InChIInChI=1S/C9H6ClFS/c1-5-2-3-6-7(4-5)12-9(10)8(6)11/h2-4H,1H3
InChIKeyNKKCUOREGCMCPS-UHFFFAOYSA-N
MW200.67 g/mol
LogP4.00
Rot. Bonds

About 2-chloro-3-fluoro-6-methyl-1-benzothiophene

2-chloro-3-fluoro-6-methyl-1-benzothiophene (PubChem CID 129075511) has the molecular formula C9H6ClFS and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-3-fluoro-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-3-fluoro-6-methyl-1-benzothiophene
PubChem CID129075511
Molecular FormulaC9H6ClFS
Molecular Weight200.67 g/mol
Exact Mass199.99
IUPAC Name2-chloro-3-fluoro-6-methyl-1-benzothiophene
SMILESCc1ccc2c(F)c(Cl)sc2c1
InChIInChI=1S/C9H6ClFS/c1-5-2-3-6-7(4-5)12-9(10)8(6)11/h2-4H,1H3
InChIKeyNKKCUOREGCMCPS-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-6-methyl-1-benzothiophene?
The IUPAC name of 2-chloro-3-fluoro-6-methyl-1-benzothiophene (CID 129075511) is 2-chloro-3-fluoro-6-methyl-1-benzothiophene.
What is the SMILES notation for 2-chloro-3-fluoro-6-methyl-1-benzothiophene?
The canonical SMILES for 2-chloro-3-fluoro-6-methyl-1-benzothiophene is Cc1ccc2c(F)c(Cl)sc2c1.
What is the InChIKey of 2-chloro-3-fluoro-6-methyl-1-benzothiophene?
The InChIKey is NKKCUOREGCMCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFS/c1-5-2-3-6-7(4-5)12-9(10)8(6)11/h2-4H,1H3.
What are the key properties of 2-chloro-3-fluoro-6-methyl-1-benzothiophene?
2-chloro-3-fluoro-6-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 2-chloro-3-fluoro-6-methyl-1-benzothiophene is sourced from PubChem (CID 129075511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).