6-ethyl-2-fluoro-7-methyl-1-benzothiophene

C11H11FS — CID 130985732

IUPAC6-ethyl-2-fluoro-7-methyl-1-benzothiophene
SMILESCCc1ccc2cc(F)sc2c1C
InChIInChI=1S/C11H11FS/c1-3-8-4-5-9-6-10(12)13-11(9)7(8)2/h4-6H,3H2,1-2H3
InChIKeyNUDKLYIDILIMIS-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.91
Rot. Bonds1

About 6-ethyl-2-fluoro-7-methyl-1-benzothiophene

6-ethyl-2-fluoro-7-methyl-1-benzothiophene (PubChem CID 130985732) has the molecular formula C11H11FS and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-ethyl-2-fluoro-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-ethyl-2-fluoro-7-methyl-1-benzothiophene
PubChem CID130985732
Molecular FormulaC11H11FS
Molecular Weight194.27 g/mol
Exact Mass194.06
IUPAC Name6-ethyl-2-fluoro-7-methyl-1-benzothiophene
SMILESCCc1ccc2cc(F)sc2c1C
InChIInChI=1S/C11H11FS/c1-3-8-4-5-9-6-10(12)13-11(9)7(8)2/h4-6H,3H2,1-2H3
InChIKeyNUDKLYIDILIMIS-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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Related Compounds

6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene
CID 130805528
7-ethyl-2-fluoro-5-methoxy-1-benzothiophene
CID 131097093
(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
CID 130944032
(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol
CID 130944049
4-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131195859
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
CID 131097075
7-(chloromethyl)-6-ethyl-2-methyl-1-benzothiophene
CID 130870579
7-ethyl-1,2,3,8-tetramethylnaphthalene
CID 162292672
7-bromo-2-chloro-6-ethyl-1-benzothiophene
CID 131215627
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene
CID 118460480
6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-fluoro-7-methyl-1-benzothiophene?
The IUPAC name of 6-ethyl-2-fluoro-7-methyl-1-benzothiophene (CID 130985732) is 6-ethyl-2-fluoro-7-methyl-1-benzothiophene.
What is the SMILES notation for 6-ethyl-2-fluoro-7-methyl-1-benzothiophene?
The canonical SMILES for 6-ethyl-2-fluoro-7-methyl-1-benzothiophene is CCc1ccc2cc(F)sc2c1C.
What is the InChIKey of 6-ethyl-2-fluoro-7-methyl-1-benzothiophene?
The InChIKey is NUDKLYIDILIMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FS/c1-3-8-4-5-9-6-10(12)13-11(9)7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-fluoro-7-methyl-1-benzothiophene?
6-ethyl-2-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 6-ethyl-2-fluoro-7-methyl-1-benzothiophene is sourced from PubChem (CID 130985732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).