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

C11H9ClF3NO — CID 84639252

IUPAC2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c(C(F)(F)F)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H9ClF3NO/c12-6-1-2-9-8(5-6)7(3-4-17)10(16-9)11(13,14)15/h1-2,5,16-17H,3-4H2
InChIKeyNISJLIRLYIKDCO-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.37
Rot. Bonds2

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

2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol (PubChem CID 84639252) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
PubChem CID84639252
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c(C(F)(F)F)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H9ClF3NO/c12-6-1-2-9-8(5-6)7(3-4-17)10(16-9)11(13,14)15/h1-2,5,16-17H,3-4H2
InChIKeyNISJLIRLYIKDCO-UHFFFAOYSA-N
XLogP3.37
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
CID 84636463
2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 125457020
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole
CID 1472079
4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
CID 69120890
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 84630189
[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 84643873
3-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]propanenitrile
CID 84640649
4-[5-chloro-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3978108
2-tert-butyl-5-chloro-1H-indole-3-thiol
CID 15122877
6-chloro-4-(2-chlorophenyl)-3-(3-hydroxypropyl)-1H-quinolin-2-one
CID 51032251

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol (CID 84639252) is 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol is OCCc1c(C(F)(F)F)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The InChIKey is NISJLIRLYIKDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-6-1-2-9-8(5-6)7(3-4-17)10(16-9)11(13,14)15/h1-2,5,16-17H,3-4H2.
What are the key properties of 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol has a molecular weight of 263.65 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 84639252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).