7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene

C10H8ClFOS — CID 131146423

IUPAC7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
SMILESCOc1csc2c(CCl)ccc(F)c12
InChIInChI=1S/C10H8ClFOS/c1-13-8-5-14-10-6(4-11)2-3-7(12)9(8)10/h2-3,5H,4H2,1H3
InChIKeyGBMHSEOLQZATAG-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.79
Rot. Bonds2

About 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene

7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene (PubChem CID 131146423) has the molecular formula C10H8ClFOS and a molecular weight of 230.69 g/mol. Its IUPAC name is 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
PubChem CID131146423
Molecular FormulaC10H8ClFOS
Molecular Weight230.69 g/mol
Exact Mass230.00
IUPAC Name7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
SMILESCOc1csc2c(CCl)ccc(F)c12
InChIInChI=1S/C10H8ClFOS/c1-13-8-5-14-10-6(4-11)2-3-7(12)9(8)10/h2-3,5H,4H2,1H3
InChIKeyGBMHSEOLQZATAG-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

4-(chloromethyl)-3-methoxy-7-methyl-1-benzothiophene
CID 130898608
7-(chloromethyl)-3-fluoro-1-benzothiophen-4-ol
CID 131060182
6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
CID 131215542
4-fluoro-7-methoxy-1-benzothiophen-3-amine
CID 130866136
3-fluoro-7-methoxy-4-methyl-1-benzothiophene
CID 130883958
7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
CID 131029505
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine
CID 131190920
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 131053295
5-chloro-7-fluoro-3-methoxy-1-benzothiophene
CID 130866178
7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene
CID 130985677

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene?
The IUPAC name of 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene (CID 131146423) is 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene.
What is the SMILES notation for 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene?
The canonical SMILES for 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene is COc1csc2c(CCl)ccc(F)c12.
What is the InChIKey of 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene?
The InChIKey is GBMHSEOLQZATAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFOS/c1-13-8-5-14-10-6(4-11)2-3-7(12)9(8)10/h2-3,5H,4H2,1H3.
What are the key properties of 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene?
7-(chloromethyl)-4-fluoro-3-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 7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene is sourced from PubChem (CID 131146423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).