[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol

C10H8BrFOS — CID 130839099

IUPAC[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
SMILESOCc1sc2c(F)cccc2c1CBr
InChIInChI=1S/C10H8BrFOS/c11-4-7-6-2-1-3-8(12)10(6)14-9(7)5-13/h1-3,13H,4-5H2
InChIKeyQDNVXUXNYMXUPL-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.43
Rot. Bonds2

About [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol

[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol (PubChem CID 130839099) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
PubChem CID130839099
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
SMILESOCc1sc2c(F)cccc2c1CBr
InChIInChI=1S/C10H8BrFOS/c11-4-7-6-2-1-3-8(12)10(6)14-9(7)5-13/h1-3,13H,4-5H2
InChIKeyQDNVXUXNYMXUPL-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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Related Compounds

[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
CID 130971621
7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 131053614
1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378104
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
CID 112546161
7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene
CID 131146368
[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455
N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378107
2-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130969357
2-bromo-7-fluoro-3-methyl-1-benzothiophene
CID 131080274
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol?
The IUPAC name of [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol (CID 130839099) is [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol is OCc1sc2c(F)cccc2c1CBr.
What is the InChIKey of [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol?
The InChIKey is QDNVXUXNYMXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c11-4-7-6-2-1-3-8(12)10(6)14-9(7)5-13/h1-3,13H,4-5H2.
What are the key properties of [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol?
[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-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 [3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 130839099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).