4-chloro-1-[2-(trifluoromethoxy)ethyl]indole

C11H9ClF3NO — CID 116623860

IUPAC4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
SMILESFC(F)(F)OCCn1ccc2c(Cl)cccc21
InChIInChI=1S/C11H9ClF3NO/c12-9-2-1-3-10-8(9)4-5-16(10)6-7-17-11(13,14)15/h1-5H,6-7H2
InChIKeyZLSVQDXMLSVDJU-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.83
Rot. Bonds3

About 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole

4-chloro-1-[2-(trifluoromethoxy)ethyl]indole (PubChem CID 116623860) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole.

Molecular Properties

Compound Name4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
PubChem CID116623860
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
SMILESFC(F)(F)OCCn1ccc2c(Cl)cccc21
InChIInChI=1S/C11H9ClF3NO/c12-9-2-1-3-10-8(9)4-5-16(10)6-7-17-11(13,14)15/h1-5H,6-7H2
InChIKeyZLSVQDXMLSVDJU-UHFFFAOYSA-N
XLogP3.83
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine
CID 10704473
(2R)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine
CID 10823155
1-(4-Chlorophenyl)-1H-indole
CID 775716
1H-Indole-1-ethanol
CID 13734996
1-[4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-2-ol
CID 2796144
4-Chloro-1-((2R,3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)-1H-indole-5-carbonitrile
CID 86709203
Indole, 1-(1-propoxyethyl)-
CID 31575
1H-Indole, 1-(1-methoxyethyl)-
CID 31576
6-Chloro-1-methyl-1H-indole
CID 15335321
1-(4-Chloro-1H-indol-1-yl)ethanone
CID 13310387
3-(4-chlorophenylselanyl)-1-methyl-1H-indole
CID 102311959
1-(6-Chloro-5-fluoroindol-1-yl)-2-ethylamine
CID 18986217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole?
The IUPAC name of 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole (CID 116623860) is 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole.
What is the SMILES notation for 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole?
The canonical SMILES for 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole is FC(F)(F)OCCn1ccc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole?
The InChIKey is ZLSVQDXMLSVDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-9-2-1-3-10-8(9)4-5-16(10)6-7-17-11(13,14)15/h1-5H,6-7H2.
What are the key properties of 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole?
4-chloro-1-[2-(trifluoromethoxy)ethyl]indole has a molecular weight of 263.65 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(trifluoromethoxy)ethyl]indole is sourced from PubChem (CID 116623860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).