2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene

C17H15BrF3NO2 — CID 158184538

IUPAC2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene
SMILESCCOc1cccc2[nH]c(Br)cc12.FC(F)(F)Oc1ccccc1
InChIInChI=1S/C10H10BrNO.C7H5F3O/c1-2-13-9-5-3-4-8-7(9)6-10(11)12-8;8-7(9,10)11-6-4-2-1-3-5-6/h3-6,12H,2H2,1H3;1-5H
InChIKeyFYZHYIQPWFFZPB-UHFFFAOYSA-N
MW402.21 g/mol
LogP5.91
Rot. Bonds3

About 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene

2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene (PubChem CID 158184538) has the molecular formula C17H15BrF3NO2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene
PubChem CID158184538
Molecular FormulaC17H15BrF3NO2
Molecular Weight402.21 g/mol
Exact Mass401.02
IUPAC Name2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene
SMILESCCOc1cccc2[nH]c(Br)cc12.FC(F)(F)Oc1ccccc1
InChIInChI=1S/C10H10BrNO.C7H5F3O/c1-2-13-9-5-3-4-8-7(9)6-10(11)12-8;8-7(9,10)11-6-4-2-1-3-5-6/h3-6,12H,2H2,1H3;1-5H
InChIKeyFYZHYIQPWFFZPB-UHFFFAOYSA-N
XLogP5.91
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.21
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293
1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
CID 118269087
trifluoromethoxybenzene
CID 157402708
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
1-bromo-1-[3-ethoxy-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134615885
trifluoromethoxybenzene fluoride
CID 158305019
1-(3-bromopropyl)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 118818980
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
ethyl 2-[4-(trifluoromethoxy)phenoxy]-1H-indole-3-carboxylate
CID 159808887
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
1-chloropentane;sulfane;trifluoromethoxybenzene
CID 174892257
1-(2-ethoxyphenyl)-9H-carbazole
CID 175136892

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene?
The IUPAC name of 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene (CID 158184538) is 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene.
What is the SMILES notation for 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene?
The canonical SMILES for 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene is CCOc1cccc2[nH]c(Br)cc12.FC(F)(F)Oc1ccccc1.
What is the InChIKey of 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene?
The InChIKey is FYZHYIQPWFFZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO.C7H5F3O/c1-2-13-9-5-3-4-8-7(9)6-10(11)12-8;8-7(9,10)11-6-4-2-1-3-5-6/h3-6,12H,2H2,1H3;1-5H.
What are the key properties of 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene?
2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene has a molecular weight of 402.21 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethoxy-1H-indole;trifluoromethoxybenzene is sourced from PubChem (CID 158184538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).