7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene

C12H10BrF3OS — CID 178006007

IUPAC7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene
SMILESCCc1cc(Br)c2sc(C)c(OC(F)(F)F)c2c1
InChIInChI=1S/C12H10BrF3OS/c1-3-7-4-8-10(17-12(14,15)16)6(2)18-11(8)9(13)5-7/h4-5H,3H2,1-2H3
InChIKeyUNPMCSMELBVRBL-UHFFFAOYSA-N
MW339.18 g/mol
LogP5.43
Rot. Bonds2

About 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene

7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene (PubChem CID 178006007) has the molecular formula C12H10BrF3OS and a molecular weight of 339.18 g/mol. Its IUPAC name is 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene
PubChem CID178006007
Molecular FormulaC12H10BrF3OS
Molecular Weight339.18 g/mol
Exact Mass337.96
IUPAC Name7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene
SMILESCCc1cc(Br)c2sc(C)c(OC(F)(F)F)c2c1
InChIInChI=1S/C12H10BrF3OS/c1-3-7-4-8-10(17-12(14,15)16)6(2)18-11(8)9(13)5-7/h4-5H,3H2,1-2H3
InChIKeyUNPMCSMELBVRBL-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.18
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585
7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
CID 130870265
2-methyl-3-(trifluoromethoxy)-1-benzothiophene
CID 123854985
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
CID 131397954
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 107342453
(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
CID 21420848
2,6-dibromo-4-ethylaniline
CID 14043928
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
The IUPAC name of 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene (CID 178006007) is 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
The canonical SMILES for 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene is CCc1cc(Br)c2sc(C)c(OC(F)(F)F)c2c1.
What is the InChIKey of 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
The InChIKey is UNPMCSMELBVRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3OS/c1-3-7-4-8-10(17-12(14,15)16)6(2)18-11(8)9(13)5-7/h4-5H,3H2,1-2H3.
What are the key properties of 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene?
7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene has a molecular weight of 339.18 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 178006007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).