2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene

C11H10BrFS — CID 130985210

IUPAC2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene
SMILESCCc1cc(F)c2sc(CBr)cc2c1
InChIInChI=1S/C11H10BrFS/c1-2-7-3-8-5-9(6-12)14-11(8)10(13)4-7/h3-5H,2,6H2,1H3
InChIKeyDNFNNXSBWFCKTF-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.50
Rot. Bonds2

About 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene

2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene (PubChem CID 130985210) has the molecular formula C11H10BrFS and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene
PubChem CID130985210
Molecular FormulaC11H10BrFS
Molecular Weight273.17 g/mol
Exact Mass271.97
IUPAC Name2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene
SMILESCCc1cc(F)c2sc(CBr)cc2c1
InChIInChI=1S/C11H10BrFS/c1-2-7-3-8-5-9(6-12)14-11(8)10(13)4-7/h3-5H,2,6H2,1H3
InChIKeyDNFNNXSBWFCKTF-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

2-(bromomethyl)-7-chloro-5-ethyl-1-benzothiophene
CID 131122564
5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
CID 131214219
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-7-amine
CID 131053468
2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
CID 130805587
2-(bromomethyl)-5-fluoro-6-methylsulfanyl-1-benzothiophene
CID 130985198
5-(bromomethyl)-2-chloro-7-ethyl-1-benzothiophene
CID 131060216
5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
CID 131169442
CID 87414098
CID 87414098
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
CID 143324079
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077
2-(bromomethyl)-5-hydroxy-1-benzothiophene-7-carbonitrile
CID 130826649

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene?
The IUPAC name of 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene (CID 130985210) is 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene.
What is the SMILES notation for 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene?
The canonical SMILES for 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene is CCc1cc(F)c2sc(CBr)cc2c1.
What is the InChIKey of 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene?
The InChIKey is DNFNNXSBWFCKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFS/c1-2-7-3-8-5-9(6-12)14-11(8)10(13)4-7/h3-5H,2,6H2,1H3.
What are the key properties of 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene?
2-(bromomethyl)-5-ethyl-7-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 2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene is sourced from PubChem (CID 130985210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).