[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol

C10H8BrFOS — CID 130878455

IUPAC[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
SMILESOCc1ccc2c(F)csc2c1CBr
InChIInChI=1S/C10H8BrFOS/c11-3-8-6(4-13)1-2-7-9(12)5-14-10(7)8/h1-2,5,13H,3-4H2
InChIKeyAMWAQDFXHGIHMG-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.43
Rot. Bonds2

About [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol

[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol (PubChem CID 130878455) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol.

Molecular Properties

Compound Name[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
PubChem CID130878455
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
SMILESOCc1ccc2c(F)csc2c1CBr
InChIInChI=1S/C10H8BrFOS/c11-3-8-6(4-13)1-2-7-9(12)5-14-10(7)8/h1-2,5,13H,3-4H2
InChIKeyAMWAQDFXHGIHMG-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol?
The IUPAC name of [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol (CID 130878455) is [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol.
What is the SMILES notation for [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol?
The canonical SMILES for [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol is OCc1ccc2c(F)csc2c1CBr.
What is the InChIKey of [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol?
The InChIKey is AMWAQDFXHGIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c11-3-8-6(4-13)1-2-7-9(12)5-14-10(7)8/h1-2,5,13H,3-4H2.
What are the key properties of [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol?
[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol has a molecular weight of 275.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol is sourced from PubChem (CID 130878455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).