7-fluoro-3-methoxy-5-methyl-1-benzothiophene

C10H9FOS — CID 131053876

IUPAC7-fluoro-3-methoxy-5-methyl-1-benzothiophene
SMILESCOc1csc2c(F)cc(C)cc12
InChIInChI=1S/C10H9FOS/c1-6-3-7-9(12-2)5-13-10(7)8(11)4-6/h3-5H,1-2H3
InChIKeyMGUZBRIVDPIUHV-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.36
Rot. Bonds1

About 7-fluoro-3-methoxy-5-methyl-1-benzothiophene

7-fluoro-3-methoxy-5-methyl-1-benzothiophene (PubChem CID 131053876) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 7-fluoro-3-methoxy-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-3-methoxy-5-methyl-1-benzothiophene
PubChem CID131053876
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name7-fluoro-3-methoxy-5-methyl-1-benzothiophene
SMILESCOc1csc2c(F)cc(C)cc12
InChIInChI=1S/C10H9FOS/c1-6-3-7-9(12-2)5-13-10(7)8(11)4-6/h3-5H,1-2H3
InChIKeyMGUZBRIVDPIUHV-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-7-fluoro-3-methoxy-1-benzothiophene
CID 130866178
(7-fluoro-3-methoxy-1-benzothiophen-5-yl)methanol
CID 130941198
2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine
CID 130050695
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
7-bromo-5-iodo-3-methoxy-1-benzothiophene
CID 130926576
7-bromo-3-fluoro-5-methyl-1-benzothiophene
CID 131169430
3-fluoro-7-methoxy-4-methyl-1-benzothiophene
CID 130883958
5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
CID 130878487
7-chloro-3-ethoxy-5-methyl-1-benzothiophene
CID 130803883
4-fluoro-5-methoxy-7-methyl-1-benzothiophene
CID 130925600
3-fluoro-6-methoxy-1-benzothiophen-7-ol
CID 131196384

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methoxy-5-methyl-1-benzothiophene?
The IUPAC name of 7-fluoro-3-methoxy-5-methyl-1-benzothiophene (CID 131053876) is 7-fluoro-3-methoxy-5-methyl-1-benzothiophene.
What is the SMILES notation for 7-fluoro-3-methoxy-5-methyl-1-benzothiophene?
The canonical SMILES for 7-fluoro-3-methoxy-5-methyl-1-benzothiophene is COc1csc2c(F)cc(C)cc12.
What is the InChIKey of 7-fluoro-3-methoxy-5-methyl-1-benzothiophene?
The InChIKey is MGUZBRIVDPIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-3-7-9(12-2)5-13-10(7)8(11)4-6/h3-5H,1-2H3.
What are the key properties of 7-fluoro-3-methoxy-5-methyl-1-benzothiophene?
7-fluoro-3-methoxy-5-methyl-1-benzothiophene has a molecular weight of 196.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methoxy-5-methyl-1-benzothiophene is sourced from PubChem (CID 131053876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).