2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol

C11H10F3NO — CID 12030137

IUPAC2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-16)6-15-10/h1-2,5-6,15-16H,3-4H2
InChIKeyAULYOHSBUGNJQQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.72
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol

2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol (PubChem CID 12030137) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
PubChem CID12030137
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-16)6-15-10/h1-2,5-6,15-16H,3-4H2
InChIKeyAULYOHSBUGNJQQ-UHFFFAOYSA-N
XLogP2.72
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 156836225
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide
CID 67973468
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
3-iodo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 102537541
(Z)-3-[5-(trifluoromethyl)-1H-indol-3-yl]prop-2-enoic acid
CID 83971109
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol
CID 117120930

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol (CID 12030137) is 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol is OCCc1c[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The InChIKey is AULYOHSBUGNJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-16)6-15-10/h1-2,5-6,15-16H,3-4H2.
What are the key properties of 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol?
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol has a molecular weight of 229.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 12030137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).