5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one

C16H8ClF6NO3 — CID 23120650

IUPAC5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)c(Cl)cc2C1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H8ClF6NO3/c17-10-5-9-11(6-8(10)15(18,19)20)24-13(25)14(9,26)7-3-1-2-4-12(7)27-16(21,22)23/h1-6,26H,(H,24,25)
InChIKeyGZVHMNNHMPXBMQ-UHFFFAOYSA-N
MW411.69 g/mol
LogP4.45
Rot. Bonds2

About 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one

5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 23120650) has the molecular formula C16H8ClF6NO3 and a molecular weight of 411.69 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID23120650
Molecular FormulaC16H8ClF6NO3
Molecular Weight411.69 g/mol
Exact Mass411.01
IUPAC Name5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)c(Cl)cc2C1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H8ClF6NO3/c17-10-5-9-11(6-8(10)15(18,19)20)24-13(25)14(9,26)7-3-1-2-4-12(7)27-16(21,22)23/h1-6,26H,(H,24,25)
InChIKeyGZVHMNNHMPXBMQ-UHFFFAOYSA-N
XLogP4.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.69
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one (CID 23120650) is 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)c(Cl)cc2C1(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is GZVHMNNHMPXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF6NO3/c17-10-5-9-11(6-8(10)15(18,19)20)24-13(25)14(9,26)7-3-1-2-4-12(7)27-16(21,22)23/h1-6,26H,(H,24,25).
What are the key properties of 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 411.69 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 23120650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).