2-methoxy-8-(trifluoromethyl)dibenzothiophene

C14H9F3OS — CID 46873336

IUPAC2-methoxy-8-(trifluoromethyl)dibenzothiophene
SMILESCOc1ccc2sc3ccc(C(F)(F)F)cc3c2c1
InChIInChI=1S/C14H9F3OS/c1-18-9-3-5-13-11(7-9)10-6-8(14(15,16)17)2-4-12(10)19-13/h2-7H,1H3
InChIKeyCQAUAPOABSHPQM-UHFFFAOYSA-N
MW282.29 g/mol
LogP5.08
Rot. Bonds1

About 2-methoxy-8-(trifluoromethyl)dibenzothiophene

2-methoxy-8-(trifluoromethyl)dibenzothiophene (PubChem CID 46873336) has the molecular formula C14H9F3OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-methoxy-8-(trifluoromethyl)dibenzothiophene.

Molecular Properties

Compound Name2-methoxy-8-(trifluoromethyl)dibenzothiophene
PubChem CID46873336
Molecular FormulaC14H9F3OS
Molecular Weight282.29 g/mol
Exact Mass282.03
IUPAC Name2-methoxy-8-(trifluoromethyl)dibenzothiophene
SMILESCOc1ccc2sc3ccc(C(F)(F)F)cc3c2c1
InChIInChI=1S/C14H9F3OS/c1-18-9-3-5-13-11(7-9)10-6-8(14(15,16)17)2-4-12(10)19-13/h2-7H,1H3
InChIKeyCQAUAPOABSHPQM-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.29
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-8-(trifluoromethyl)dibenzothiophene 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

2-ethoxy-8-methoxydibenzothiophene
CID 172565133
1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone
CID 122641680
methyl 3-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CID 58918006
N-[2,2-bis(4-methoxyphenyl)ethenyl]-3-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 54680218
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526
methyl 3-acetamido-5-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CID 90142347
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
3-bromo-2,5-dimethoxy-1-benzothiophene
CID 130866034
2-(2-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 172907025
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-(trifluoromethyl)dibenzothiophene?
The IUPAC name of 2-methoxy-8-(trifluoromethyl)dibenzothiophene (CID 46873336) is 2-methoxy-8-(trifluoromethyl)dibenzothiophene.
What is the SMILES notation for 2-methoxy-8-(trifluoromethyl)dibenzothiophene?
The canonical SMILES for 2-methoxy-8-(trifluoromethyl)dibenzothiophene is COc1ccc2sc3ccc(C(F)(F)F)cc3c2c1.
What is the InChIKey of 2-methoxy-8-(trifluoromethyl)dibenzothiophene?
The InChIKey is CQAUAPOABSHPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3OS/c1-18-9-3-5-13-11(7-9)10-6-8(14(15,16)17)2-4-12(10)19-13/h2-7H,1H3.
What are the key properties of 2-methoxy-8-(trifluoromethyl)dibenzothiophene?
2-methoxy-8-(trifluoromethyl)dibenzothiophene has a molecular weight of 282.29 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-(trifluoromethyl)dibenzothiophene is sourced from PubChem (CID 46873336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).