5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene

C10H8ClFOS — CID 130840050

IUPAC5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
SMILESCOc1cc2scc(F)c2cc1CCl
InChIInChI=1S/C10H8ClFOS/c1-13-9-3-10-7(2-6(9)4-11)8(12)5-14-10/h2-3,5H,4H2,1H3
InChIKeyOOIMJZHTDKUKKK-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.79
Rot. Bonds2

About 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene

5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene (PubChem CID 130840050) has the molecular formula C10H8ClFOS and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
PubChem CID130840050
Molecular FormulaC10H8ClFOS
Molecular Weight230.69 g/mol
Exact Mass230.00
IUPAC Name5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
SMILESCOc1cc2scc(F)c2cc1CCl
InChIInChI=1S/C10H8ClFOS/c1-13-9-3-10-7(2-6(9)4-11)8(12)5-14-10/h2-3,5H,4H2,1H3
InChIKeyOOIMJZHTDKUKKK-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-fluoro-5-methoxy-1-benzothiophene
CID 130969688
5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131146490
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
6-(chloromethyl)-3-fluoro-1-benzothiophen-5-amine
CID 131145928
5-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 131169453
5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
CID 130878487
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
CID 131146423
5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
CID 130803928
1-(chloromethyl)-3,4,5-trifluoro-2-methoxybenzene
CID 131010984
3-ethyl-6-methoxy-1-benzothiophen-5-amine
CID 130788559
5-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
CID 130941891

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene?
The IUPAC name of 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene (CID 130840050) is 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene.
What is the SMILES notation for 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene?
The canonical SMILES for 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene is COc1cc2scc(F)c2cc1CCl.
What is the InChIKey of 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene?
The InChIKey is OOIMJZHTDKUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFOS/c1-13-9-3-10-7(2-6(9)4-11)8(12)5-14-10/h2-3,5H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene?
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene has a molecular weight of 230.69 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene is sourced from PubChem (CID 130840050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).