2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol

C13H14F3NO — CID 117197297

IUPAC2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCn1cc(C(C)(C)O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H14F3NO/c1-12(2,18)10-7-17(3)11-8(10)5-4-6-9(11)13(14,15)16/h4-7,18H,1-3H3
InChIKeyZATJXUKFPLUWPE-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.42
Rot. Bonds1

About 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol

2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol (PubChem CID 117197297) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol
PubChem CID117197297
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol
SMILESCn1cc(C(C)(C)O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H14F3NO/c1-12(2,18)10-7-17(3)11-8(10)5-4-6-9(11)13(14,15)16/h4-7,18H,1-3H3
InChIKeyZATJXUKFPLUWPE-UHFFFAOYSA-N
XLogP3.42
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dimethylindol-7-yl)propan-2-ol
CID 117205272
3,7-ditert-butyl-1-methylindole
CID 59882824
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propanoic acid
CID 117197320
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine
CID 115108352
2-[1-ethyl-7-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117197367
1-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanone
CID 83919945
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazol-5-amine
CID 115108348
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid
CID 115108350
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363
2-(1,3-dimethylindol-4-yl)propan-2-ol
CID 15852030

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol (CID 117197297) is 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol is Cn1cc(C(C)(C)O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol?
The InChIKey is ZATJXUKFPLUWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-12(2,18)10-7-17(3)11-8(10)5-4-6-9(11)13(14,15)16/h4-7,18H,1-3H3.
What are the key properties of 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol?
2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol has a molecular weight of 257.25 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 117197297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).