5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one

C15H8ClF4NO2 — CID 86745339

IUPAC5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Oc3cc(F)c(C(F)(F)F)c(Cl)c3)ccc2N1
InChIInChI=1S/C15H8ClF4NO2/c16-10-5-9(6-11(17)14(10)15(18,19)20)23-8-1-2-12-7(3-8)4-13(22)21-12/h1-3,5-6H,4H2,(H,21,22)
InChIKeyWUIFLBGXBCYRHL-UHFFFAOYSA-N
MW345.68 g/mol
LogP4.78
Rot. Bonds2

About 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one

5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one (PubChem CID 86745339) has the molecular formula C15H8ClF4NO2 and a molecular weight of 345.68 g/mol. Its IUPAC name is 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one
PubChem CID86745339
Molecular FormulaC15H8ClF4NO2
Molecular Weight345.68 g/mol
Exact Mass345.02
IUPAC Name5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Oc3cc(F)c(C(F)(F)F)c(Cl)c3)ccc2N1
InChIInChI=1S/C15H8ClF4NO2/c16-10-5-9(6-11(17)14(10)15(18,19)20)23-8-1-2-12-7(3-8)4-13(22)21-12/h1-3,5-6H,4H2,(H,21,22)
InChIKeyWUIFLBGXBCYRHL-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one (CID 86745339) is 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one is O=C1Cc2cc(Oc3cc(F)c(C(F)(F)F)c(Cl)c3)ccc2N1.
What is the InChIKey of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
The InChIKey is WUIFLBGXBCYRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF4NO2/c16-10-5-9(6-11(17)14(10)15(18,19)20)23-8-1-2-12-7(3-8)4-13(22)21-12/h1-3,5-6H,4H2,(H,21,22).
What are the key properties of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one has a molecular weight of 345.68 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 86745339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).