1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one

C12H11F4NO2 — CID 79660633

IUPAC1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)C(F)(F)C(F)F)ccc21
InChIInChI=1S/C12H11F4NO2/c1-17-8-3-2-6(4-7(8)5-9(17)18)10(19)12(15,16)11(13)14/h2-4,10-11,19H,5H2,1H3
InChIKeyCWDHSEDEALXFNH-UHFFFAOYSA-N
MW277.22 g/mol
LogP2.14
Rot. Bonds3

About 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one

1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one (PubChem CID 79660633) has the molecular formula C12H11F4NO2 and a molecular weight of 277.22 g/mol. Its IUPAC name is 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one
PubChem CID79660633
Molecular FormulaC12H11F4NO2
Molecular Weight277.22 g/mol
Exact Mass277.07
IUPAC Name1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)C(F)(F)C(F)F)ccc21
InChIInChI=1S/C12H11F4NO2/c1-17-8-3-2-6(4-7(8)5-9(17)18)10(19)12(15,16)11(13)14/h2-4,10-11,19H,5H2,1H3
InChIKeyCWDHSEDEALXFNH-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-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

1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937
5-[1-hydroxy-3-(2,2,2-trifluoroethoxy)propyl]-1-methyl-3H-indol-2-one
CID 103210146
5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61087964
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
1-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydroquinolin-2-one
CID 63105598
5-[(4-ethylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61086671
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
6-(1-bromo-2,2,3,3-tetrafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 79660832

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one (CID 79660633) is 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)C(F)(F)C(F)F)ccc21.
What is the InChIKey of 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one?
The InChIKey is CWDHSEDEALXFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO2/c1-17-8-3-2-6(4-7(8)5-9(17)18)10(19)12(15,16)11(13)14/h2-4,10-11,19H,5H2,1H3.
What are the key properties of 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one?
1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one has a molecular weight of 277.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one is sourced from PubChem (CID 79660633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).