[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol

C10H8BrFOS — CID 130792423

IUPAC[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol
SMILESOCc1c(F)sc2cccc(CBr)c12
InChIInChI=1S/C10H8BrFOS/c11-4-6-2-1-3-8-9(6)7(5-13)10(12)14-8/h1-3,13H,4-5H2
InChIKeyJHIFQHXERGLKAX-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.43
Rot. Bonds2

About [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol

[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol (PubChem CID 130792423) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol
PubChem CID130792423
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol
SMILESOCc1c(F)sc2cccc(CBr)c12
InChIInChI=1S/C10H8BrFOS/c11-4-6-2-1-3-8-9(6)7(5-13)10(12)14-8/h1-3,13H,4-5H2
InChIKeyJHIFQHXERGLKAX-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'}

Analyze [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-bromo-4-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 131033753
3-bromo-4-(bromomethyl)-2-methylsulfanyl-1-benzothiophene
CID 131146096
(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol
CID 131217352
3-(chloromethyl)-2-fluoro-1-benzothiophen-4-ol
CID 130970873
4-(hydroxymethyl)-3-sulfanyl-1-benzothiophen-2-ol
CID 130971294
(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
CID 130855351
1,5,9-tris(bromomethyl)triphenylene
CID 11071234
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
ethyl 3-(bromomethyl)-4-(methoxymethyl)-1-benzothiophene-2-carboxylate
CID 152677428
3-(hydroxymethyl)-4-iodo-1-benzothiophene-2-carbonitrile
CID 130971089
(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol
CID 130805667
2-(bromomethyl)-6-fluorophenol
CID 86086661

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol?
The IUPAC name of [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol (CID 130792423) is [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol.
What is the SMILES notation for [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol?
The canonical SMILES for [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol is OCc1c(F)sc2cccc(CBr)c12.
What is the InChIKey of [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol?
The InChIKey is JHIFQHXERGLKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c11-4-6-2-1-3-8-9(6)7(5-13)10(12)14-8/h1-3,13H,4-5H2.
What are the key properties of [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol?
[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-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 [4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol is sourced from PubChem (CID 130792423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).