O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine

C13H17F3N2O — CID 117201719

IUPACO-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
SMILESCC(C)N1CC(CON)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-6-9(7-19-17)11-5-10(13(14,15)16)3-4-12(11)18/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyNZJZFEHZXUKWTN-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.91
Rot. Bonds3

About O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine

O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine (PubChem CID 117201719) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
PubChem CID117201719
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameO-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
SMILESCC(C)N1CC(CON)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-6-9(7-19-17)11-5-10(13(14,15)16)3-4-12(11)18/h3-5,8-9H,6-7,17H2,1-2H3
InChIKeyNZJZFEHZXUKWTN-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
The IUPAC name of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine (CID 117201719) is O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine is CC(C)N1CC(CON)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
The InChIKey is NZJZFEHZXUKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8(2)18-6-9(7-19-17)11-5-10(13(14,15)16)3-4-12(11)18/h3-5,8-9H,6-7,17H2,1-2H3.
What are the key properties of O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine?
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine has a molecular weight of 274.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 117201719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).