2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol

C11H10F3NO — CID 3780231

IUPAC2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H10F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6,10,16H,1H3
InChIKeyARPIRHUPDYIDHC-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.77
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol

2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol (PubChem CID 3780231) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol
PubChem CID3780231
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H10F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6,10,16H,1H3
InChIKeyARPIRHUPDYIDHC-UHFFFAOYSA-N
XLogP2.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Carbinol
CID 3712
N-methoxyindole-3-carbinol
CID 398553
Flutroline
CID 51174
7-Octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-
CID 3033452
(1-methyl-1H-indol-4-yl)methanol
CID 17608739
4-(Hydroxymethyl)quinoline
CID 80479
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
1H-indol-4-ylmethanol
CID 2773457

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol (CID 3780231) is 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol is Cn1cc(C(O)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol?
The InChIKey is ARPIRHUPDYIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6,10,16H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol?
2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol has a molecular weight of 229.20 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 3780231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).