6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one

C11H9ClF3NO2 — CID 61082063

IUPAC6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)CC(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C11H9ClF3NO2/c12-7-3-8-5(2-10(18)16-8)1-6(7)9(17)4-11(13,14)15/h1,3,9,17H,2,4H2,(H,16,18)
InChIKeyJVLPZDFHUBHOEW-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.82
Rot. Bonds2

About 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one

6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one (PubChem CID 61082063) has the molecular formula C11H9ClF3NO2 and a molecular weight of 279.65 g/mol. Its IUPAC name is 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
PubChem CID61082063
Molecular FormulaC11H9ClF3NO2
Molecular Weight279.65 g/mol
Exact Mass279.03
IUPAC Name6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)CC(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C11H9ClF3NO2/c12-7-3-8-5(2-10(18)16-8)1-6(7)9(17)4-11(13,14)15/h1,3,9,17H,2,4H2,(H,16,18)
InChIKeyJVLPZDFHUBHOEW-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 63434327
6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one
CID 79648069
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
CID 104521145
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one (CID 61082063) is 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)CC(F)(F)F)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one?
The InChIKey is JVLPZDFHUBHOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO2/c12-7-3-8-5(2-10(18)16-8)1-6(7)9(17)4-11(13,14)15/h1,3,9,17H,2,4H2,(H,16,18).
What are the key properties of 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one?
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one has a molecular weight of 279.65 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61082063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).