7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene

C10H8ClFS — CID 130840063

IUPAC7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2c(CCl)c(F)ccc12
InChIInChI=1S/C10H8ClFS/c1-6-5-13-10-7(6)2-3-9(12)8(10)4-11/h2-3,5H,4H2,1H3
InChIKeyAGFYLLGPDMEFCE-UHFFFAOYSA-N
MW214.69 g/mol
LogP4.09
Rot. Bonds1

About 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene

7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene (PubChem CID 130840063) has the molecular formula C10H8ClFS and a molecular weight of 214.69 g/mol. Its IUPAC name is 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene
PubChem CID130840063
Molecular FormulaC10H8ClFS
Molecular Weight214.69 g/mol
Exact Mass214.00
IUPAC Name7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2c(CCl)c(F)ccc12
InChIInChI=1S/C10H8ClFS/c1-6-5-13-10-7(6)2-3-9(12)8(10)4-11/h2-3,5H,4H2,1H3
InChIKeyAGFYLLGPDMEFCE-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-bromo-3-methyl-1-benzothiophen-7-yl)methanol
CID 131014253
7-chloro-6-ethyl-3-methyl-1-benzothiophene
CID 91881894
7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
CID 130987982
3-bromo-7-(chloromethyl)-1-benzothiophene-6-thiol
CID 131030892
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
7-(chloromethyl)-3-methoxy-1-benzothiophene-6-thiol
CID 131146664
4-(chloromethyl)-5-fluoro-1-benzothiophen-3-amine
CID 130941932
(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
CID 131197619
7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
CID 130971126
7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol
CID 130955566
3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
CID 130954694
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene?
The IUPAC name of 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene (CID 130840063) is 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene.
What is the SMILES notation for 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene?
The canonical SMILES for 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene is Cc1csc2c(CCl)c(F)ccc12.
What is the InChIKey of 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene?
The InChIKey is AGFYLLGPDMEFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS/c1-6-5-13-10-7(6)2-3-9(12)8(10)4-11/h2-3,5H,4H2,1H3.
What are the key properties of 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene?
7-(chloromethyl)-6-fluoro-3-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 7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene is sourced from PubChem (CID 130840063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).