6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene

C10H8ClFS — CID 130955998

IUPAC6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2cc(CCl)cc(F)c12
InChIInChI=1S/C10H8ClFS/c1-6-5-13-9-3-7(4-11)2-8(12)10(6)9/h2-3,5H,4H2,1H3
InChIKeyYVLADGPXFSHISI-UHFFFAOYSA-N
MW214.69 g/mol
LogP4.09
Rot. Bonds1

About 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene

6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene (PubChem CID 130955998) has the molecular formula C10H8ClFS and a molecular weight of 214.69 g/mol. Its IUPAC name is 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene
PubChem CID130955998
Molecular FormulaC10H8ClFS
Molecular Weight214.69 g/mol
Exact Mass214.00
IUPAC Name6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2cc(CCl)cc(F)c12
InChIInChI=1S/C10H8ClFS/c1-6-5-13-9-3-7(4-11)2-8(12)10(6)9/h2-3,5H,4H2,1H3
InChIKeyYVLADGPXFSHISI-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

(4-bromo-3-methyl-1-benzothiophen-6-yl)methanol
CID 130839310
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
3-fluoro-4,6-dimethyl-1-benzothiophene
CID 130956380
3,4,6-trimethyl-1-benzothiophene
CID 20824554
(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
CID 130884325
6-fluoro-3,5-dimethyl-1-benzothiophene
CID 89233564
5-fluoro-3-methylthieno[3,2-b]thiophene
CID 129149047
4-ethyl-3-methyl-1-benzothiophene-6-carbaldehyde
CID 131123404
4-ethyl-6-methoxy-3-methyl-1-benzothiophene
CID 130985915
4,6-diiodo-3-methyl-1-benzothiophene
CID 131218326
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
3-(difluoromethyl)-4-fluoro-6-methyl-1-benzothiophene
CID 130805378

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene?
The IUPAC name of 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene (CID 130955998) is 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene.
What is the SMILES notation for 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene?
The canonical SMILES for 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene is Cc1csc2cc(CCl)cc(F)c12.
What is the InChIKey of 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene?
The InChIKey is YVLADGPXFSHISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS/c1-6-5-13-9-3-7(4-11)2-8(12)10(6)9/h2-3,5H,4H2,1H3.
What are the key properties of 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene?
6-(chloromethyl)-4-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 6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene is sourced from PubChem (CID 130955998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).