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

C15H9ClF3NO2 — CID 86745336

IUPAC5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Oc3ccc(C(F)(F)F)c(Cl)c3)ccc2N1
InChIInChI=1S/C15H9ClF3NO2/c16-12-7-10(1-3-11(12)15(17,18)19)22-9-2-4-13-8(5-9)6-14(21)20-13/h1-5,7H,6H2,(H,20,21)
InChIKeyTYQVUMWSOHRLII-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.65
Rot. Bonds2

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

5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one (PubChem CID 86745336) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one
PubChem CID86745336
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Oc3ccc(C(F)(F)F)c(Cl)c3)ccc2N1
InChIInChI=1S/C15H9ClF3NO2/c16-12-7-10(1-3-11(12)15(17,18)19)22-9-2-4-13-8(5-9)6-14(21)20-13/h1-5,7H,6H2,(H,20,21)
InChIKeyTYQVUMWSOHRLII-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one (CID 86745336) is 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one is O=C1Cc2cc(Oc3ccc(C(F)(F)F)c(Cl)c3)ccc2N1.
What is the InChIKey of 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
The InChIKey is TYQVUMWSOHRLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-12-7-10(1-3-11(12)15(17,18)19)22-9-2-4-13-8(5-9)6-14(21)20-13/h1-5,7H,6H2,(H,20,21).
What are the key properties of 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one?
5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one has a molecular weight of 327.69 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 86745336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).