3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one

C16H8ClF6NO3 — CID 10136357

IUPAC3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H8ClF6NO3/c17-7-1-2-11(25)8(5-7)14(27)12-9(16(21,22)23)3-6(15(18,19)20)4-10(12)24-13(14)26/h1-5,25,27H,(H,24,26)
InChIKeyHVWAOJYKZRILEF-UHFFFAOYSA-N
MW411.69 g/mol
LogP4.27
Rot. Bonds1

About 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one

3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one (PubChem CID 10136357) has the molecular formula C16H8ClF6NO3 and a molecular weight of 411.69 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one
PubChem CID10136357
Molecular FormulaC16H8ClF6NO3
Molecular Weight411.69 g/mol
Exact Mass411.01
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H8ClF6NO3/c17-7-1-2-11(25)8(5-7)14(27)12-9(16(21,22)23)3-6(15(18,19)20)4-10(12)24-13(14)26/h1-5,25,27H,(H,24,26)
InChIKeyHVWAOJYKZRILEF-UHFFFAOYSA-N
XLogP4.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.69
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one (CID 10136357) is 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2C1(O)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one?
The InChIKey is HVWAOJYKZRILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF6NO3/c17-7-1-2-11(25)8(5-7)14(27)12-9(16(21,22)23)3-6(15(18,19)20)4-10(12)24-13(14)26/h1-5,25,27H,(H,24,26).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one?
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one has a molecular weight of 411.69 g/mol, XLogP of 4.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4,6-bis(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10136357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).