6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde

C10H6BrFOS — CID 130866141

IUPAC6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1cc2cc(F)sc2cc1CBr
InChIInChI=1S/C10H6BrFOS/c11-4-7-2-9-6(1-8(7)5-13)3-10(12)14-9/h1-3,5H,4H2
InChIKeyDSICWHXVZOEFQB-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.75
Rot. Bonds2

About 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde

6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde (PubChem CID 130866141) has the molecular formula C10H6BrFOS and a molecular weight of 273.13 g/mol. Its IUPAC name is 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde
PubChem CID130866141
Molecular FormulaC10H6BrFOS
Molecular Weight273.13 g/mol
Exact Mass271.93
IUPAC Name6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1cc2cc(F)sc2cc1CBr
InChIInChI=1S/C10H6BrFOS/c11-4-7-2-9-6(1-8(7)5-13)3-10(12)14-9/h1-3,5H,4H2
InChIKeyDSICWHXVZOEFQB-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-fluorobenzaldehyde
CID 98041715
5-bromo-2-(bromomethyl)-1-benzothiophene-6-carbaldehyde
CID 131080293
5-(hydroxymethyl)-2-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131080789
2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
CID 131218553
2-(aminomethyl)-4,5-difluorobenzaldehyde
CID 117276821
7-(bromomethyl)-5-fluoro-1-benzothiophene-3-carbaldehyde
CID 131098475
5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 130821284
2-bromo-6-(bromomethyl)-1-benzothiophene-5-thiol
CID 131059826
2-bromo-6-(bromomethyl)-5-fluoro-1,3-benzothiazole
CID 142338304
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde
CID 134618140
5-bromo-2-fluoro-6-methyl-1-benzothiophene
CID 131075792
6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine
CID 130866427

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde (CID 130866141) is 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde is O=Cc1cc2cc(F)sc2cc1CBr.
What is the InChIKey of 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde?
The InChIKey is DSICWHXVZOEFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFOS/c11-4-7-2-9-6(1-8(7)5-13)3-10(12)14-9/h1-3,5H,4H2.
What are the key properties of 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde?
6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde has a molecular weight of 273.13 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 130866141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).