7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene

C11H10BrFS — CID 131146368

IUPAC7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene
SMILESCCc1sc2c(CBr)cccc2c1F
InChIInChI=1S/C11H10BrFS/c1-2-9-10(13)8-5-3-4-7(6-12)11(8)14-9/h3-5H,2,6H2,1H3
InChIKeyKWFIHUAACQBHQF-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.50
Rot. Bonds2

About 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene

7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene (PubChem CID 131146368) has the molecular formula C11H10BrFS and a molecular weight of 273.17 g/mol. Its IUPAC name is 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene.

Molecular Properties

Compound Name7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene
PubChem CID131146368
Molecular FormulaC11H10BrFS
Molecular Weight273.17 g/mol
Exact Mass271.97
IUPAC Name7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene
SMILESCCc1sc2c(CBr)cccc2c1F
InChIInChI=1S/C11H10BrFS/c1-2-9-10(13)8-5-3-4-7(6-12)11(8)14-9/h3-5H,2,6H2,1H3
InChIKeyKWFIHUAACQBHQF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene
CID 130788277
3-bromo-7-(bromomethyl)-2-iodo-1-benzothiophene
CID 130969225
7-(bromomethyl)-2-chloro-1-benzothiophene-3-carbonitrile
CID 130803659
7-bromo-2-ethyl-1-benzothiophene-3-thiol
CID 130883111
ethane;4-ethyldibenzothiophene
CID 123227550
7-(bromomethyl)-3-methyl-1-benzothiophene
CID 14780499
[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
CID 130839099
1,5,9-tris(bromomethyl)triphenylene
CID 11071234
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943
[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
CID 130971621

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene?
The IUPAC name of 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene (CID 131146368) is 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene.
What is the SMILES notation for 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene?
The canonical SMILES for 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene is CCc1sc2c(CBr)cccc2c1F.
What is the InChIKey of 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene?
The InChIKey is KWFIHUAACQBHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFS/c1-2-9-10(13)8-5-3-4-7(6-12)11(8)14-9/h3-5H,2,6H2,1H3.
What are the key properties of 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene?
7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene has a molecular weight of 273.17 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene is sourced from PubChem (CID 131146368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).