2-methyl-7-(trifluoromethoxy)-1-benzothiophene

C10H7F3OS — CID 91155200

IUPAC2-methyl-7-(trifluoromethoxy)-1-benzothiophene
SMILESCc1cc2cccc(OC(F)(F)F)c2s1
InChIInChI=1S/C10H7F3OS/c1-6-5-7-3-2-4-8(9(7)15-6)14-10(11,12)13/h2-5H,1H3
InChIKeyYRJQKVQKXMXAGC-UHFFFAOYSA-N
MW232.23 g/mol
LogP4.11
Rot. Bonds1

About 2-methyl-7-(trifluoromethoxy)-1-benzothiophene

2-methyl-7-(trifluoromethoxy)-1-benzothiophene (PubChem CID 91155200) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethoxy)-1-benzothiophene
PubChem CID91155200
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name2-methyl-7-(trifluoromethoxy)-1-benzothiophene
SMILESCc1cc2cccc(OC(F)(F)F)c2s1
InChIInChI=1S/C10H7F3OS/c1-6-5-7-3-2-4-8(9(7)15-6)14-10(11,12)13/h2-5H,1H3
InChIKeyYRJQKVQKXMXAGC-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-7-(trifluoromethoxy)-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Methoxy-1-benzothiophene-2-sulfonamide
CID 13922900
4-Methoxydibenzothiophene
CID 458354
5-Methoxy-1-benzothiophene
CID 3632425
4-Methoxy-benzo(b)thiophene
CID 12623869
Benzo[b]thiophene, 3-methoxy-
CID 11240674
3-(4-Fluorophenoxy)-1-benzothiophene
CID 11817399
3-Methoxy-2-phenyl-1-benzothiophene
CID 12100171
3-Phenoxy-1-benzothiophene
CID 12190826
3-Methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 15572636
2-(2,2,2-Trifluoroethoxy)benzo[b]thiophene
CID 46228138
2-(4-Methoxyphenyl)benzothiophene
CID 4137391
(5-Methoxy-1-benzothiophen-2-yl)boronic acid
CID 21706311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethoxy)-1-benzothiophene?
The IUPAC name of 2-methyl-7-(trifluoromethoxy)-1-benzothiophene (CID 91155200) is 2-methyl-7-(trifluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 2-methyl-7-(trifluoromethoxy)-1-benzothiophene?
The canonical SMILES for 2-methyl-7-(trifluoromethoxy)-1-benzothiophene is Cc1cc2cccc(OC(F)(F)F)c2s1.
What is the InChIKey of 2-methyl-7-(trifluoromethoxy)-1-benzothiophene?
The InChIKey is YRJQKVQKXMXAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3OS/c1-6-5-7-3-2-4-8(9(7)15-6)14-10(11,12)13/h2-5H,1H3.
What are the key properties of 2-methyl-7-(trifluoromethoxy)-1-benzothiophene?
2-methyl-7-(trifluoromethoxy)-1-benzothiophene has a molecular weight of 232.23 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 91155200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).