6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol

C9H6BrFOS — CID 130878622

IUPAC6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol
SMILESOc1c(CBr)c(F)cc2ccsc12
InChIInChI=1S/C9H6BrFOS/c10-4-6-7(11)3-5-1-2-13-9(5)8(6)12/h1-3,12H,4H2
InChIKeyKBLWZKKCRPNLMO-UHFFFAOYSA-N
MW261.11 g/mol
LogP3.64
Rot. Bonds1

About 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol

6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol (PubChem CID 130878622) has the molecular formula C9H6BrFOS and a molecular weight of 261.11 g/mol. Its IUPAC name is 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol
PubChem CID130878622
Molecular FormulaC9H6BrFOS
Molecular Weight261.11 g/mol
Exact Mass259.93
IUPAC Name6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol
SMILESOc1c(CBr)c(F)cc2ccsc12
InChIInChI=1S/C9H6BrFOS/c10-4-6-7(11)3-5-1-2-13-9(5)8(6)12/h1-3,12H,4H2
InChIKeyKBLWZKKCRPNLMO-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 ≤ 500261.11
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)-5-sulfanyl-1-benzothiophen-7-ol
CID 131031347
6-(bromomethyl)-7-chloro-5-fluoro-1-benzothiophene
CID 130805698
5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
CID 131196097
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
5-bromo-7-(bromomethyl)-6-methylsulfanyl-1-benzothiophene
CID 130788892
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol
CID 131195851
7-bromo-5-fluoro-6-iodo-1-benzothiophene
CID 130955655
5,7-dihydroxy-1-benzothiophene-6-carbonitrile
CID 131091563
5-(hydroxymethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 131000512
6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
CID 130855156

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol?
The IUPAC name of 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol (CID 130878622) is 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol.
What is the SMILES notation for 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol?
The canonical SMILES for 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol is Oc1c(CBr)c(F)cc2ccsc12.
What is the InChIKey of 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol?
The InChIKey is KBLWZKKCRPNLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFOS/c10-4-6-7(11)3-5-1-2-13-9(5)8(6)12/h1-3,12H,4H2.
What are the key properties of 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol?
6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol has a molecular weight of 261.11 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 6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol is sourced from PubChem (CID 130878622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).