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

C11H10F3NO — CID 14022934

IUPAC2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol
SMILESCc1c(C(O)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C11H10F3NO/c1-6-7-4-2-3-5-8(7)15-9(6)10(16)11(12,13)14/h2-5,10,15-16H,1H3
InChIKeyWDQJQQMFBIYHTH-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.07
Rot. Bonds1

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

2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol (PubChem CID 14022934) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol
PubChem CID14022934
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol
SMILESCc1c(C(O)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C11H10F3NO/c1-6-7-4-2-3-5-8(7)15-9(6)10(16)11(12,13)14/h2-5,10,15-16H,1H3
InChIKeyWDQJQQMFBIYHTH-UHFFFAOYSA-N
XLogP3.07
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridindolol
CID 5358591
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 11571928
(6-bromo-1H-indol-2-yl)methanol
CID 13567957
(1H-indol-2-yl)methanol
CID 98783
1-(1H-indol-3-yl)ethane-1,2-diol
CID 25202910
3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 336484
1-Hydroxy-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
CID 52943808
1H-Indole, 3-(2-hydroxyethyl)-2-phenyl-
CID 609959
1H-Indole-3-ethanol, 2-methyl-
CID 659192
Indole-3-methanol, alpha-(2-(dimethylamino)ethyl)-
CID 58240
1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 659336

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol (CID 14022934) is 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol is Cc1c(C(O)C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol?
The InChIKey is WDQJQQMFBIYHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6-7-4-2-3-5-8(7)15-9(6)10(16)11(12,13)14/h2-5,10,15-16H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol?
2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol has a molecular weight of 229.20 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol is sourced from PubChem (CID 14022934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).