4-ethyl-5-fluoro-1-benzothiophene

C10H9FS — CID 130064581

IUPAC4-ethyl-5-fluoro-1-benzothiophene
SMILESCCc1c(F)ccc2sccc12
InChIInChI=1S/C10H9FS/c1-2-7-8-5-6-12-10(8)4-3-9(7)11/h3-6H,2H2,1H3
InChIKeyXUICRPXUYAOVKX-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.60
Rot. Bonds1

About 4-ethyl-5-fluoro-1-benzothiophene

4-ethyl-5-fluoro-1-benzothiophene (PubChem CID 130064581) has the molecular formula C10H9FS and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1-benzothiophene.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1-benzothiophene
PubChem CID130064581
Molecular FormulaC10H9FS
Molecular Weight180.25 g/mol
Exact Mass180.04
IUPAC Name4-ethyl-5-fluoro-1-benzothiophene
SMILESCCc1c(F)ccc2sccc12
InChIInChI=1S/C10H9FS/c1-2-7-8-5-6-12-10(8)4-3-9(7)11/h3-6H,2H2,1H3
InChIKeyXUICRPXUYAOVKX-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-benzothiophene-5-carbonitrile
CID 130064613
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 131123133
1-ethyl-2-fluoronaphthalene
CID 19065482
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
5-ethyl-4-iodo-6-methyl-1-benzothiophene
CID 130827103
7-ethyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411414
4-ethenyl-5-methyl-1-benzothiophene
CID 123205107

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1-benzothiophene?
The IUPAC name of 4-ethyl-5-fluoro-1-benzothiophene (CID 130064581) is 4-ethyl-5-fluoro-1-benzothiophene.
What is the SMILES notation for 4-ethyl-5-fluoro-1-benzothiophene?
The canonical SMILES for 4-ethyl-5-fluoro-1-benzothiophene is CCc1c(F)ccc2sccc12.
What is the InChIKey of 4-ethyl-5-fluoro-1-benzothiophene?
The InChIKey is XUICRPXUYAOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS/c1-2-7-8-5-6-12-10(8)4-3-9(7)11/h3-6H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-1-benzothiophene?
4-ethyl-5-fluoro-1-benzothiophene has a molecular weight of 180.25 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1-benzothiophene is sourced from PubChem (CID 130064581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).