2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone

C12H10F3NO2 — CID 91714492

IUPAC2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone
SMILESO=C(n1cc(CCO)c2ccccc21)C(F)(F)F
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)11(18)16-7-8(5-6-17)9-3-1-2-4-10(9)16/h1-4,7,17H,5-6H2
InChIKeyZDAUBJANMPJWKM-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.38
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone

2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone (PubChem CID 91714492) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone
PubChem CID91714492
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone
SMILESO=C(n1cc(CCO)c2ccccc21)C(F)(F)F
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)11(18)16-7-8(5-6-17)9-3-1-2-4-10(9)16/h1-4,7,17H,5-6H2
InChIKeyZDAUBJANMPJWKM-UHFFFAOYSA-N
XLogP2.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-trifluoroacetyl)indole-3-carbonitrile
CID 91689409
2-[1-(2,2-dimethylbutanoyl)indol-3-yl]ethylazanium;2,2,2-trifluoroacetate
CID 158324865
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
3-(2-aminoethyl)indole-1-carboxylic acid
CID 69396073
1-carbazol-9-yl-2,2,2-trifluoroethanone
CID 13072859
tert-butyl 3-[2-[(2,2,2-trifluoroacetyl)oxyamino]ethyl]indole-1-carboxylate
CID 100932933
(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690338
2-(1-benzylindol-3-yl)ethanol
CID 13134935
2-(1-cyclopropylindol-3-yl)ethanol
CID 22372063
2-[1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 162537823
2-[1-(1-methylcyclohexanecarbonyl)indol-3-yl]ethylazanium;2,2,2-trifluoroacetate
CID 157327501
2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one
CID 15419309

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone (CID 91714492) is 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone is O=C(n1cc(CCO)c2ccccc21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone?
The InChIKey is ZDAUBJANMPJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)11(18)16-7-8(5-6-17)9-3-1-2-4-10(9)16/h1-4,7,17H,5-6H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone has a molecular weight of 257.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone is sourced from PubChem (CID 91714492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).