6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene

C10H8ClFOS — CID 131034414

IUPAC6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene
SMILESCOc1cc2cc(F)c(CCl)cc2s1
InChIInChI=1S/C10H8ClFOS/c1-13-10-4-6-2-8(12)7(5-11)3-9(6)14-10/h2-4H,5H2,1H3
InChIKeyVQAMXLPOZVWCKD-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.79
Rot. Bonds2

About 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene

6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene (PubChem CID 131034414) has the molecular formula C10H8ClFOS and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene
PubChem CID131034414
Molecular FormulaC10H8ClFOS
Molecular Weight230.69 g/mol
Exact Mass230.00
IUPAC Name6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene
SMILESCOc1cc2cc(F)c(CCl)cc2s1
InChIInChI=1S/C10H8ClFOS/c1-13-10-4-6-2-8(12)7(5-11)3-9(6)14-10/h2-4H,5H2,1H3
InChIKeyVQAMXLPOZVWCKD-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-(chloromethyl)-5-fluoro-1-benzothiophene-2-thiol
CID 130884355
6-ethyl-5-iodo-2-methoxy-1-benzothiophene
CID 130855342
7-(chloromethyl)-2-fluoro-5-methoxy-1-benzothiophene
CID 131146133
6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol
CID 130826737
2-methoxy-6-methyl-1-benzothiophen-5-amine
CID 130885316
5-bromo-2-methoxy-1-benzothiophen-6-ol
CID 130970005
5-fluoro-6-methoxy-2-methyl-1-benzothiophene
CID 131091519
1-(chloromethyl)-3,4,5-trifluoro-2-methoxybenzene
CID 131010984
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
2-chloro-5-ethyl-6-fluoro-1-benzothiophene
CID 131080280
6-(chloromethyl)-1-benzothiophene-2,5-diamine
CID 130788528

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene?
The IUPAC name of 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene (CID 131034414) is 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene.
What is the SMILES notation for 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene?
The canonical SMILES for 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene is COc1cc2cc(F)c(CCl)cc2s1.
What is the InChIKey of 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene?
The InChIKey is VQAMXLPOZVWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFOS/c1-13-10-4-6-2-8(12)7(5-11)3-9(6)14-10/h2-4H,5H2,1H3.
What are the key properties of 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene?
6-(chloromethyl)-5-fluoro-2-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 6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene is sourced from PubChem (CID 131034414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).