6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene

C10H8ClFS — CID 130840062

IUPAC6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene
SMILESCc1cc2ccsc2c(F)c1CCl
InChIInChI=1S/C10H8ClFS/c1-6-4-7-2-3-13-10(7)9(12)8(6)5-11/h2-4H,5H2,1H3
InChIKeyFBWBBDVPCHALAW-UHFFFAOYSA-N
MW214.69 g/mol
LogP4.09
Rot. Bonds1

About 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene

6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene (PubChem CID 130840062) has the molecular formula C10H8ClFS and a molecular weight of 214.69 g/mol. Its IUPAC name is 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene
PubChem CID130840062
Molecular FormulaC10H8ClFS
Molecular Weight214.69 g/mol
Exact Mass214.00
IUPAC Name6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene
SMILESCc1cc2ccsc2c(F)c1CCl
InChIInChI=1S/C10H8ClFS/c1-6-4-7-2-3-13-10(7)9(12)8(6)5-11/h2-4H,5H2,1H3
InChIKeyFBWBBDVPCHALAW-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 130955973
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
6-ethyl-5-methyl-1-benzothiophene-7-carbaldehyde
CID 130961943
5-(chloromethyl)-7-iodo-6-methyl-1-benzothiophene
CID 131002195
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
5-(chloromethyl)-7-methoxy-1-benzothiophene
CID 130050629
6-amino-7-fluoro-1-benzothiophene-5-thiol
CID 130816569
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
5-ethyl-7-fluoro-1-benzothiophene-6-carbonitrile
CID 131076564
6-(bromomethyl)-7-chloro-5-fluoro-1-benzothiophene
CID 130805698
7-methyl-1-benzothiophen-5-ol
CID 54126935
7-methyl-1-benzothiophen-5-amine
CID 90308865

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene?
The IUPAC name of 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene (CID 130840062) is 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene.
What is the SMILES notation for 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene?
The canonical SMILES for 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene is Cc1cc2ccsc2c(F)c1CCl.
What is the InChIKey of 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene?
The InChIKey is FBWBBDVPCHALAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS/c1-6-4-7-2-3-13-10(7)9(12)8(6)5-11/h2-4H,5H2,1H3.
What are the key properties of 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene?
6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene has a molecular weight of 214.69 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene is sourced from PubChem (CID 130840062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).