5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one

C15H10F3NO2 — CID 79755388

IUPAC5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc(F)c(F)c3F)ccc2N1
InChIInChI=1S/C15H10F3NO2/c16-10-3-2-9(13(17)14(10)18)15(21)7-1-4-11-8(5-7)6-12(20)19-11/h1-5,15,21H,6H2,(H,19,20)
InChIKeyONKPKWKPHOTXER-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.68
Rot. Bonds2

About 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one

5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 79755388) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID79755388
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc(F)c(F)c3F)ccc2N1
InChIInChI=1S/C15H10F3NO2/c16-10-3-2-9(13(17)14(10)18)15(21)7-1-4-11-8(5-7)6-12(20)19-11/h1-5,15,21H,6H2,(H,19,20)
InChIKeyONKPKWKPHOTXER-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 61084977
5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81112630
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
CID 79755380
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one (CID 79755388) is 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3ccc(F)c(F)c3F)ccc2N1.
What is the InChIKey of 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ONKPKWKPHOTXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-10-3-2-9(13(17)14(10)18)15(21)7-1-4-11-8(5-7)6-12(20)19-11/h1-5,15,21H,6H2,(H,19,20).
What are the key properties of 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one?
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 293.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79755388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).