3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one

C17H11F3N2O3 — CID 118710075

IUPAC3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
SMILESO=C1Nc2ccc(OC(F)(F)F)cc2C1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-9-5-6-14-11(7-9)16(24,15(23)22-14)12-8-21-13-4-2-1-3-10(12)13/h1-8,21,24H,(H,22,23)
InChIKeyNZYKHMXUKLUQJN-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.25
Rot. Bonds2

About 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one

3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one (PubChem CID 118710075) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
PubChem CID118710075
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC Name3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
SMILESO=C1Nc2ccc(OC(F)(F)F)cc2C1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-9-5-6-14-11(7-9)16(24,15(23)22-14)12-8-21-13-4-2-1-3-10(12)13/h1-8,21,24H,(H,22,23)
InChIKeyNZYKHMXUKLUQJN-UHFFFAOYSA-N
XLogP3.25
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one
CID 7333227
3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
CID 118710079
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 118710068
(2'S,3R)-2'-(hydroxymethyl)-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915744
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one
CID 71146329
3-butyl-3-ethyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 106702214
3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
CID 102584538
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one (CID 118710075) is 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one is O=C1Nc2ccc(OC(F)(F)F)cc2C1(O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one?
The InChIKey is NZYKHMXUKLUQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)25-9-5-6-14-11(7-9)16(24,15(23)22-14)12-8-21-13-4-2-1-3-10(12)13/h1-8,21,24H,(H,22,23).
What are the key properties of 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one?
3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one has a molecular weight of 348.28 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one is sourced from PubChem (CID 118710075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).