(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one

C15H8ClF4NO2 — CID 122490665

IUPAC(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2[C@]1(F)c1cc(Cl)ccc1O
InChIInChI=1S/C15H8ClF4NO2/c16-8-2-4-12(22)10(6-8)14(17)9-3-1-7(15(18,19)20)5-11(9)21-13(14)23/h1-6,22H,(H,21,23)/t14-/m0/s1
InChIKeyAGIMNIREMIOTIO-AWEZNQCLSA-N
MW345.68 g/mol
LogP4.23
Rot. Bonds1

About (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one

(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 122490665) has the molecular formula C15H8ClF4NO2 and a molecular weight of 345.68 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID122490665
Molecular FormulaC15H8ClF4NO2
Molecular Weight345.68 g/mol
Exact Mass345.02
IUPAC Name(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2[C@]1(F)c1cc(Cl)ccc1O
InChIInChI=1S/C15H8ClF4NO2/c16-8-2-4-12(22)10(6-8)14(17)9-3-1-7(15(18,19)20)5-11(9)21-13(14)23/h1-6,22H,(H,21,23)/t14-/m0/s1
InChIKeyAGIMNIREMIOTIO-AWEZNQCLSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 18412763
(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one
CID 178002990
3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 11079059
3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10970879
3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 140974859
3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 11145115
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
methyl 3-chloro-2-[3-fluoro-2-oxo-6-(trifluoromethyl)-1H-indol-3-yl]benzoate
CID 175883383
3-fluoro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 164519580
3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one
CID 10200492
(3R)-3-amino-2-oxo-6-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 131872457
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
CID 10294489

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one (CID 122490665) is (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(F)c1cc(Cl)ccc1O.
What is the InChIKey of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is AGIMNIREMIOTIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H8ClF4NO2/c16-8-2-4-12(22)10(6-8)14(17)9-3-1-7(15(18,19)20)5-11(9)21-13(14)23/h1-6,22H,(H,21,23)/t14-/m0/s1.
What are the key properties of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 345.68 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 122490665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).