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

C10H8ClFS — CID 131080280

IUPAC2-chloro-5-ethyl-6-fluoro-1-benzothiophene
SMILESCCc1cc2cc(Cl)sc2cc1F
InChIInChI=1S/C10H8ClFS/c1-2-6-3-7-4-10(11)13-9(7)5-8(6)12/h3-5H,2H2,1H3
InChIKeyVGSDNUVISDINNN-UHFFFAOYSA-N
MW214.69 g/mol
LogP4.26
Rot. Bonds1

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

2-chloro-5-ethyl-6-fluoro-1-benzothiophene (PubChem CID 131080280) has the molecular formula C10H8ClFS and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-chloro-5-ethyl-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-5-ethyl-6-fluoro-1-benzothiophene
PubChem CID131080280
Molecular FormulaC10H8ClFS
Molecular Weight214.69 g/mol
Exact Mass214.00
IUPAC Name2-chloro-5-ethyl-6-fluoro-1-benzothiophene
SMILESCCc1cc2cc(Cl)sc2cc1F
InChIInChI=1S/C10H8ClFS/c1-2-6-3-7-4-10(11)13-9(7)5-8(6)12/h3-5H,2H2,1H3
InChIKeyVGSDNUVISDINNN-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-6-fluoro-1-benzothiophene?
The IUPAC name of 2-chloro-5-ethyl-6-fluoro-1-benzothiophene (CID 131080280) is 2-chloro-5-ethyl-6-fluoro-1-benzothiophene.
What is the SMILES notation for 2-chloro-5-ethyl-6-fluoro-1-benzothiophene?
The canonical SMILES for 2-chloro-5-ethyl-6-fluoro-1-benzothiophene is CCc1cc2cc(Cl)sc2cc1F.
What is the InChIKey of 2-chloro-5-ethyl-6-fluoro-1-benzothiophene?
The InChIKey is VGSDNUVISDINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS/c1-2-6-3-7-4-10(11)13-9(7)5-8(6)12/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-5-ethyl-6-fluoro-1-benzothiophene?
2-chloro-5-ethyl-6-fluoro-1-benzothiophene has a molecular weight of 214.69 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-6-fluoro-1-benzothiophene is sourced from PubChem (CID 131080280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).