4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene

C10H6BrF3OS — CID 59336043

IUPAC4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene
SMILESCOc1ccc(Br)c2cc(C(F)(F)F)sc12
InChIInChI=1S/C10H6BrF3OS/c1-15-7-3-2-6(11)5-4-8(10(12,13)14)16-9(5)7/h2-4H,1H3
InChIKeyNHSGSYSVSTXBIK-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.69
Rot. Bonds1

About 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene

4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene (PubChem CID 59336043) has the molecular formula C10H6BrF3OS and a molecular weight of 311.12 g/mol. Its IUPAC name is 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene
PubChem CID59336043
Molecular FormulaC10H6BrF3OS
Molecular Weight311.12 g/mol
Exact Mass309.93
IUPAC Name4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene
SMILESCOc1ccc(Br)c2cc(C(F)(F)F)sc12
InChIInChI=1S/C10H6BrF3OS/c1-15-7-3-2-6(11)5-4-8(10(12,13)14)16-9(5)7/h2-4H,1H3
InChIKeyNHSGSYSVSTXBIK-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromo-3-methoxy-1-benzothiophene
CID 44533098
2-Fluoro-7-methoxy-1-benzothiophene
CID 22171216
4-Fluoro-7-methoxy-1-benzothiophene
CID 22171235
2-(Bromomethyl)-6-fluoro-7-methoxy-1-benzothiophene
CID 67185562
2-(Bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
CID 67185875
2-[(5-Bromo-3-fluoro-2-methoxy-4-methylphenyl)methyl]-1-benzothiophene
CID 90394960
7-(Trifluoromethoxy)-1-benzothiophene
CID 90756497
2-Methyl-7-(trifluoromethoxy)-1-benzothiophene
CID 91155200
4-Fluoro-7-methoxy-2-methyl-1-benzothiophene
CID 130986438
6-Bromo-5-(difluoromethoxy)benzo[b]thiophene
CID 135200232
3-Bromo-2-(bromomethyl)-6-fluoro-7-(4,4,4-trifluorobutoxy)-1-benzothiophene
CID 168955295
3-(4-Bromo-3-methylphenoxy)-6-fluoro-1-benzothiophene
CID 175383972

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene?
The IUPAC name of 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene (CID 59336043) is 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene.
What is the SMILES notation for 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene?
The canonical SMILES for 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene is COc1ccc(Br)c2cc(C(F)(F)F)sc12.
What is the InChIKey of 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene?
The InChIKey is NHSGSYSVSTXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3OS/c1-15-7-3-2-6(11)5-4-8(10(12,13)14)16-9(5)7/h2-4H,1H3.
What are the key properties of 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene?
4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene has a molecular weight of 311.12 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-2-(trifluoromethyl)-1-benzothiophene is sourced from PubChem (CID 59336043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).