2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol

C9H6BrFOS — CID 130971703

IUPAC2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol
SMILESOc1cc(F)cc2sc(CBr)cc12
InChIInChI=1S/C9H6BrFOS/c10-4-6-3-7-8(12)1-5(11)2-9(7)13-6/h1-3,12H,4H2
InChIKeyRUHSYRWOUMHTTF-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.64
Rot. Bonds1

About 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol

2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol (PubChem CID 130971703) has the molecular formula C9H6BrFOS and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol
PubChem CID130971703
Molecular FormulaC9H6BrFOS
Molecular Weight261.12 g/mol
Exact Mass259.93
IUPAC Name2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol
SMILESOc1cc(F)cc2sc(CBr)cc12
InChIInChI=1S/C9H6BrFOS/c10-4-6-3-7-8(12)1-5(11)2-9(7)13-6/h1-3,12H,4H2
InChIKeyRUHSYRWOUMHTTF-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.64
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

6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
CID 130941761
2-(bromomethyl)-6-hydroxy-1-benzothiophene-4-carbaldehyde
CID 131029459
(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130854599
2-(bromomethyl)-5-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130971636
2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine
CID 130898343
2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol
CID 130806016
2-(fluoromethyl)-1-benzothiophen-4-ol
CID 84658438
(4,6-difluoro-1-benzothiophen-2-yl)methyl acetate
CID 18691611
3-bromo-2-(bromomethyl)-5-fluorophenol
CID 119014006
2-bromo-5-fluorobenzene-1,3-diol
CID 131382687
5-(bromomethyl)-1-benzothiophene-3,6-diol
CID 131191603
2-(bromomethyl)-5-fluoro-6-methylsulfanyl-1-benzothiophene
CID 130985198

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol?
The IUPAC name of 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol (CID 130971703) is 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol?
The canonical SMILES for 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol is Oc1cc(F)cc2sc(CBr)cc12.
What is the InChIKey of 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol?
The InChIKey is RUHSYRWOUMHTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFOS/c10-4-6-3-7-8(12)1-5(11)2-9(7)13-6/h1-3,12H,4H2.
What are the key properties of 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol?
2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol has a molecular weight of 261.12 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol is sourced from PubChem (CID 130971703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).