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

C11H11FS — CID 131060314

IUPAC3-ethyl-5-fluoro-7-methyl-1-benzothiophene
SMILESCCc1csc2c(C)cc(F)cc12
InChIInChI=1S/C11H11FS/c1-3-8-6-13-11-7(2)4-9(12)5-10(8)11/h4-6H,3H2,1-2H3
InChIKeyDPFNYIGFQUBXIB-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.91
Rot. Bonds1

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

3-ethyl-5-fluoro-7-methyl-1-benzothiophene (PubChem CID 131060314) has the molecular formula C11H11FS and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name3-ethyl-5-fluoro-7-methyl-1-benzothiophene
PubChem CID131060314
Molecular FormulaC11H11FS
Molecular Weight194.27 g/mol
Exact Mass194.06
IUPAC Name3-ethyl-5-fluoro-7-methyl-1-benzothiophene
SMILESCCc1csc2c(C)cc(F)cc12
InChIInChI=1S/C11H11FS/c1-3-8-6-13-11-7(2)4-9(12)5-10(8)11/h4-6H,3H2,1-2H3
InChIKeyDPFNYIGFQUBXIB-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-7-methyl-1-benzothiophene?
The IUPAC name of 3-ethyl-5-fluoro-7-methyl-1-benzothiophene (CID 131060314) is 3-ethyl-5-fluoro-7-methyl-1-benzothiophene.
What is the SMILES notation for 3-ethyl-5-fluoro-7-methyl-1-benzothiophene?
The canonical SMILES for 3-ethyl-5-fluoro-7-methyl-1-benzothiophene is CCc1csc2c(C)cc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-7-methyl-1-benzothiophene?
The InChIKey is DPFNYIGFQUBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FS/c1-3-8-6-13-11-7(2)4-9(12)5-10(8)11/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-fluoro-7-methyl-1-benzothiophene?
3-ethyl-5-fluoro-7-methyl-1-benzothiophene has a molecular weight of 194.27 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-7-methyl-1-benzothiophene is sourced from PubChem (CID 131060314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).