O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine

C11H13F3N2O — CID 117202728

IUPACO-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine
SMILESCN1c2cc(C(F)(F)F)ccc2CC1CON
InChIInChI=1S/C11H13F3N2O/c1-16-9(6-17-15)4-7-2-3-8(5-10(7)16)11(12,13)14/h2-3,5,9H,4,6,15H2,1H3
InChIKeySQSVWYPHVKEQFZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.96
Rot. Bonds2

About O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine

O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine (PubChem CID 117202728) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine
PubChem CID117202728
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameO-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine
SMILESCN1c2cc(C(F)(F)F)ccc2CC1CON
InChIInChI=1S/C11H13F3N2O/c1-16-9(6-17-15)4-7-2-3-8(5-10(7)16)11(12,13)14/h2-3,5,9H,4,6,15H2,1H3
InChIKeySQSVWYPHVKEQFZ-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine 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

N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
CID 117202787
[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
CID 84638796
1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole
CID 117200637
(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
CID 58765416
2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
CID 117200697
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
CID 117201719
2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol
CID 117200631
3-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200717
ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
tert-butyl (2S)-2-(hydroxymethyl)-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 175968709
(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034521

Frequently Asked Questions

What is the IUPAC name of O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine?
The IUPAC name of O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine (CID 117202728) is O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine is CN1c2cc(C(F)(F)F)ccc2CC1CON.
What is the InChIKey of O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine?
The InChIKey is SQSVWYPHVKEQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16-9(6-17-15)4-7-2-3-8(5-10(7)16)11(12,13)14/h2-3,5,9H,4,6,15H2,1H3.
What are the key properties of O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine?
O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine has a molecular weight of 246.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine is sourced from PubChem (CID 117202728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).