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

C10H8BrFS — CID 130926140

IUPAC5-bromo-7-ethyl-3-fluoro-1-benzothiophene
SMILESCCc1cc(Br)cc2c(F)csc12
InChIInChI=1S/C10H8BrFS/c1-2-6-3-7(11)4-8-9(12)5-13-10(6)8/h3-5H,2H2,1H3
InChIKeyLFSLPQUGICKLHQ-UHFFFAOYSA-N
MW259.14 g/mol
LogP4.37
Rot. Bonds1

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

5-bromo-7-ethyl-3-fluoro-1-benzothiophene (PubChem CID 130926140) has the molecular formula C10H8BrFS and a molecular weight of 259.14 g/mol. Its IUPAC name is 5-bromo-7-ethyl-3-fluoro-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-7-ethyl-3-fluoro-1-benzothiophene
PubChem CID130926140
Molecular FormulaC10H8BrFS
Molecular Weight259.14 g/mol
Exact Mass257.95
IUPAC Name5-bromo-7-ethyl-3-fluoro-1-benzothiophene
SMILESCCc1cc(Br)cc2c(F)csc12
InChIInChI=1S/C10H8BrFS/c1-2-6-3-7(11)4-8-9(12)5-13-10(6)8/h3-5H,2H2,1H3
InChIKeyLFSLPQUGICKLHQ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
CID 131033808
7-bromo-3-fluoro-5-methyl-1-benzothiophene
CID 131169430
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
5-bromo-3-ethyl-1-benzothiophene
CID 11708535
7-ethyl-1-benzothiophene-3,5-diol
CID 130785990
5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
CID 130878487
7-chloro-3-ethyl-5-fluoro-1-benzothiophene
CID 130805932
5-bromo-1-ethyl-3-fluoro-2-nitrobenzene
CID 118807869
3-ethyl-5-fluoro-7-methyl-1-benzothiophene
CID 131060314
5,7-diethyl-3-iodo-1-benzothiophene
CID 131076013
5-bromo-2-chloro-1,3-diethylbenzene
CID 44891102
2,4-dibromo-1-ethyl-3,5-difluorobenzene
CID 118836031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-ethyl-3-fluoro-1-benzothiophene?
The IUPAC name of 5-bromo-7-ethyl-3-fluoro-1-benzothiophene (CID 130926140) is 5-bromo-7-ethyl-3-fluoro-1-benzothiophene.
What is the SMILES notation for 5-bromo-7-ethyl-3-fluoro-1-benzothiophene?
The canonical SMILES for 5-bromo-7-ethyl-3-fluoro-1-benzothiophene is CCc1cc(Br)cc2c(F)csc12.
What is the InChIKey of 5-bromo-7-ethyl-3-fluoro-1-benzothiophene?
The InChIKey is LFSLPQUGICKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFS/c1-2-6-3-7(11)4-8-9(12)5-13-10(6)8/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-7-ethyl-3-fluoro-1-benzothiophene?
5-bromo-7-ethyl-3-fluoro-1-benzothiophene has a molecular weight of 259.14 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethyl-3-fluoro-1-benzothiophene is sourced from PubChem (CID 130926140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).