2-methyl-3-(trifluoromethoxy)-1-benzothiophene

C10H7F3OS — CID 123854985

IUPAC2-methyl-3-(trifluoromethoxy)-1-benzothiophene
SMILESCc1sc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C10H7F3OS/c1-6-9(14-10(11,12)13)7-4-2-3-5-8(7)15-6/h2-5H,1H3
InChIKeyBYEZPUAAADYUNV-UHFFFAOYSA-N
MW232.23 g/mol
LogP4.11
Rot. Bonds1

About 2-methyl-3-(trifluoromethoxy)-1-benzothiophene

2-methyl-3-(trifluoromethoxy)-1-benzothiophene (PubChem CID 123854985) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethoxy)-1-benzothiophene
PubChem CID123854985
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name2-methyl-3-(trifluoromethoxy)-1-benzothiophene
SMILESCc1sc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C10H7F3OS/c1-6-9(14-10(11,12)13)7-4-2-3-5-8(7)15-6/h2-5H,1H3
InChIKeyBYEZPUAAADYUNV-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-3-(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

3-bromo-2-methylthiochromen-4-one
CID 119090270
bis(dibenzothiophene);ethane
CID 143921746
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
ethane;bis(2-methyl-1-benzothiophene-3-carbonitrile)
CID 165403824
dibenzothiophene;methane
CID 162233710
7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene
CID 178006007
2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
CID 11143270
N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanesulfonamide
CID 66907234
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
dimethyl 2,3-bis(2-methyl-1-benzothiophen-3-yl)but-2-enedioate
CID 68816098
3-(2-bromophenyl)-2-methyl-1-benzothiophene
CID 147947842
3-(3-bromopropyl)-2-methyl-1-benzothiophene
CID 119084208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
The IUPAC name of 2-methyl-3-(trifluoromethoxy)-1-benzothiophene (CID 123854985) is 2-methyl-3-(trifluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
The canonical SMILES for 2-methyl-3-(trifluoromethoxy)-1-benzothiophene is Cc1sc2ccccc2c1OC(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
The InChIKey is BYEZPUAAADYUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3OS/c1-6-9(14-10(11,12)13)7-4-2-3-5-8(7)15-6/h2-5H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
2-methyl-3-(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-3-(trifluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 123854985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).