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

C13H14F3NO — CID 117195432

IUPAC2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
SMILESCC(C)(O)Cc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C13H14F3NO/c1-12(2,18)6-8-7-17-11-4-3-9(5-10(8)11)13(14,15)16/h3-5,7,17-18H,6H2,1-2H3
InChIKeyLJAWFBCMHHLPKP-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.50
Rot. Bonds2

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

2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol (PubChem CID 117195432) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
PubChem CID117195432
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
SMILESCC(C)(O)Cc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C13H14F3NO/c1-12(2,18)6-8-7-17-11-4-3-9(5-10(8)11)13(14,15)16/h3-5,7,17-18H,6H2,1-2H3
InChIKeyLJAWFBCMHHLPKP-UHFFFAOYSA-N
XLogP3.50
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
CID 84712066
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 156836225
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
CID 117120932
2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117120935
2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117122078
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
3-iodo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 102537541
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
(Z)-3-[5-(trifluoromethyl)-1H-indol-3-yl]prop-2-enoic acid
CID 83971109
4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 7062046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol (CID 117195432) is 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol is CC(C)(O)Cc1c[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
The InChIKey is LJAWFBCMHHLPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-12(2,18)6-8-7-17-11-4-3-9(5-10(8)11)13(14,15)16/h3-5,7,17-18H,6H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol?
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol has a molecular weight of 257.25 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol is sourced from PubChem (CID 117195432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).