2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol

C15H18F3NO2 — CID 24818824

IUPAC2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1[nH]c2ccc(C(F)(F)F)cc2c1C(C)(C)O
InChIInChI=1S/C15H18F3NO2/c1-13(2,20)11-9-7-8(15(16,17)18)5-6-10(9)19-12(11)14(3,4)21/h5-7,19-21H,1-4H3
InChIKeyOWUNNZFRDBIQGN-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.64
Rot. Bonds2

About 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol

2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol (PubChem CID 24818824) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
PubChem CID24818824
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1[nH]c2ccc(C(F)(F)F)cc2c1C(C)(C)O
InChIInChI=1S/C15H18F3NO2/c1-13(2,20)11-9-7-8(15(16,17)18)5-6-10(9)19-12(11)14(3,4)21/h5-7,19-21H,1-4H3
InChIKeyOWUNNZFRDBIQGN-UHFFFAOYSA-N
XLogP3.64
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol (CID 24818824) is 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol is CC(C)(O)c1[nH]c2ccc(C(F)(F)F)cc2c1C(C)(C)O.
What is the InChIKey of 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
The InChIKey is OWUNNZFRDBIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-13(2,20)11-9-7-8(15(16,17)18)5-6-10(9)19-12(11)14(3,4)21/h5-7,19-21H,1-4H3.
What are the key properties of 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol has a molecular weight of 301.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol is sourced from PubChem (CID 24818824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).