4-bromo-1-[2-(trifluoromethoxy)ethyl]indole

C11H9BrF3NO — CID 116626212

IUPAC4-bromo-1-[2-(trifluoromethoxy)ethyl]indole
SMILESFC(F)(F)OCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H9BrF3NO/c12-9-2-1-3-10-8(9)4-5-16(10)6-7-17-11(13,14)15/h1-5H,6-7H2
InChIKeyNCPLBVOGVCXEEI-UHFFFAOYSA-N
MW308.10 g/mol
LogP3.94
Rot. Bonds3

About 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole

4-bromo-1-[2-(trifluoromethoxy)ethyl]indole (PubChem CID 116626212) has the molecular formula C11H9BrF3NO and a molecular weight of 308.10 g/mol. Its IUPAC name is 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole.

Molecular Properties

Compound Name4-bromo-1-[2-(trifluoromethoxy)ethyl]indole
PubChem CID116626212
Molecular FormulaC11H9BrF3NO
Molecular Weight308.10 g/mol
Exact Mass306.98
IUPAC Name4-bromo-1-[2-(trifluoromethoxy)ethyl]indole
SMILESFC(F)(F)OCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H9BrF3NO/c12-9-2-1-3-10-8(9)4-5-16(10)6-7-17-11(13,14)15/h1-5H,6-7H2
InChIKeyNCPLBVOGVCXEEI-UHFFFAOYSA-N
XLogP3.94
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole?
The IUPAC name of 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole (CID 116626212) is 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole.
What is the SMILES notation for 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole?
The canonical SMILES for 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole is FC(F)(F)OCCn1ccc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole?
The InChIKey is NCPLBVOGVCXEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3NO/c12-9-2-1-3-10-8(9)4-5-16(10)6-7-17-11(13,14)15/h1-5H,6-7H2.
What are the key properties of 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole?
4-bromo-1-[2-(trifluoromethoxy)ethyl]indole has a molecular weight of 308.10 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(trifluoromethoxy)ethyl]indole is sourced from PubChem (CID 116626212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).