1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol

C13H14F3NO — CID 117196538

IUPAC1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
SMILESCC(O)Cc1cc2cccc(C(F)(F)F)c2n1C
InChIInChI=1S/C13H14F3NO/c1-8(18)6-10-7-9-4-3-5-11(13(14,15)16)12(9)17(10)2/h3-5,7-8,18H,6H2,1-2H3
InChIKeyZWBQTRDTVMBWDK-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.12
Rot. Bonds2

About 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol

1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol (PubChem CID 117196538) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
PubChem CID117196538
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
SMILESCC(O)Cc1cc2cccc(C(F)(F)F)c2n1C
InChIInChI=1S/C13H14F3NO/c1-8(18)6-10-7-9-4-3-5-11(13(14,15)16)12(9)17(10)2/h3-5,7-8,18H,6H2,1-2H3
InChIKeyZWBQTRDTVMBWDK-UHFFFAOYSA-N
XLogP3.12
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
CID 117196585
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
CID 117196602
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
CID 117196587
1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117197151
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196565
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117196610
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid
CID 83859980

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol?
The IUPAC name of 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol (CID 117196538) is 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol is CC(O)Cc1cc2cccc(C(F)(F)F)c2n1C.
What is the InChIKey of 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol?
The InChIKey is ZWBQTRDTVMBWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8(18)6-10-7-9-4-3-5-11(13(14,15)16)12(9)17(10)2/h3-5,7-8,18H,6H2,1-2H3.
What are the key properties of 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol?
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol has a molecular weight of 257.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol is sourced from PubChem (CID 117196538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).