2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol

C12H11BrF3NO — CID 84645936

IUPAC2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol
SMILESCn1c(C(F)(F)F)c(CCO)c2cc(Br)ccc21
InChIInChI=1S/C12H11BrF3NO/c1-17-10-3-2-7(13)6-9(10)8(4-5-18)11(17)12(14,15)16/h2-3,6,18H,4-5H2,1H3
InChIKeyRFRRAUKMTUSAES-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.49
Rot. Bonds2

About 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol

2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol (PubChem CID 84645936) has the molecular formula C12H11BrF3NO and a molecular weight of 322.12 g/mol. Its IUPAC name is 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol
PubChem CID84645936
Molecular FormulaC12H11BrF3NO
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol
SMILESCn1c(C(F)(F)F)c(CCO)c2cc(Br)ccc21
InChIInChI=1S/C12H11BrF3NO/c1-17-10-3-2-7(13)6-9(10)8(4-5-18)11(17)12(14,15)16/h2-3,6,18H,4-5H2,1H3
InChIKeyRFRRAUKMTUSAES-UHFFFAOYSA-N
XLogP3.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanamine
CID 84645821
[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84630192
2-[6-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 84647002
[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635897
1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
CID 84635895
1-[6-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanone
CID 84645777
4-(5-bromo-1,2-dimethylindol-3-yl)butan-2-one
CID 82502307
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
CID 82502196
(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol
CID 19439817
3-(5-bromo-1-propylindol-3-yl)propan-1-ol
CID 83946739
2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025396

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol?
The IUPAC name of 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol (CID 84645936) is 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol?
The canonical SMILES for 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol is Cn1c(C(F)(F)F)c(CCO)c2cc(Br)ccc21.
What is the InChIKey of 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol?
The InChIKey is RFRRAUKMTUSAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3NO/c1-17-10-3-2-7(13)6-9(10)8(4-5-18)11(17)12(14,15)16/h2-3,6,18H,4-5H2,1H3.
What are the key properties of 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol?
2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol has a molecular weight of 322.12 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol is sourced from PubChem (CID 84645936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).