1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one

C11H10F3NO2 — CID 61087034

IUPAC1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)C(F)(F)F)ccc21
InChIInChI=1S/C11H10F3NO2/c1-15-8-3-2-6(10(17)11(12,13)14)4-7(8)5-9(15)16/h2-4,10,17H,5H2,1H3
InChIKeyPYRFSIQNDSOIMM-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.80
Rot. Bonds1

About 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one

1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one (PubChem CID 61087034) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
PubChem CID61087034
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)C(F)(F)F)ccc21
InChIInChI=1S/C11H10F3NO2/c1-15-8-3-2-6(10(17)11(12,13)14)4-7(8)5-9(15)16/h2-4,10,17H,5H2,1H3
InChIKeyPYRFSIQNDSOIMM-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one
CID 79660633
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937
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-[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-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[1-hydroxy-3-(2,2,2-trifluoroethoxy)propyl]-1-methyl-3H-indol-2-one
CID 103210146
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61087964
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one (CID 61087034) is 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one?
The InChIKey is PYRFSIQNDSOIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-15-8-3-2-6(10(17)11(12,13)14)4-7(8)5-9(15)16/h2-4,10,17H,5H2,1H3.
What are the key properties of 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one?
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one is sourced from PubChem (CID 61087034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).