1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol

C12H12F3NO — CID 14786055

IUPAC1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol
SMILESCc1c(C(C)(O)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C12H12F3NO/c1-7-8-5-3-4-6-9(8)16-10(7)11(2,17)12(13,14)15/h3-6,16-17H,1-2H3
InChIKeyURRNGCUHUVHQMN-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.25
Rot. Bonds1

About 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol

1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol (PubChem CID 14786055) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol
PubChem CID14786055
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol
SMILESCc1c(C(C)(O)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C12H12F3NO/c1-7-8-5-3-4-6-9(8)16-10(7)11(2,17)12(13,14)15/h3-6,16-17H,1-2H3
InChIKeyURRNGCUHUVHQMN-UHFFFAOYSA-N
XLogP3.25
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Fistulosin
CID 11574561
(1H-indol-2-yl)methanol
CID 98783
3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 336484
2-(4-Hydroxyphenyl)indole
CID 11287260
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-phenyl-1H-indole-2-carbonitrile
CID 21318138
1-Hydroxy-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
CID 52943808
1H-Indole-3-ethanol, 2-methyl-
CID 659192
4-fluoro-2-methyl-1H-indol-5-ol
CID 10352036
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662
2-(3-methyl-6-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24792664
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 24818824

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol (CID 14786055) is 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol is Cc1c(C(C)(O)C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol?
The InChIKey is URRNGCUHUVHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7-8-5-3-4-6-9(8)16-10(7)11(2,17)12(13,14)15/h3-6,16-17H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol?
1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol has a molecular weight of 243.23 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol is sourced from PubChem (CID 14786055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).