O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine

C9H11FN2O — CID 117202128

IUPACO-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
SMILESNOCC1CNc2ccc(F)cc21
InChIInChI=1S/C9H11FN2O/c10-7-1-2-9-8(3-7)6(4-12-9)5-13-11/h1-3,6,12H,4-5,11H2
InChIKeyBDBZDINMVIAIBO-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.23
Rot. Bonds2

About O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine

O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine (PubChem CID 117202128) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
PubChem CID117202128
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC NameO-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
SMILESNOCC1CNc2ccc(F)cc21
InChIInChI=1S/C9H11FN2O/c10-7-1-2-9-8(3-7)6(4-12-9)5-13-11/h1-3,6,12H,4-5,11H2
InChIKeyBDBZDINMVIAIBO-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
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-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine (CID 117202128) is O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine is NOCC1CNc2ccc(F)cc21.
What is the InChIKey of O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
The InChIKey is BDBZDINMVIAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-7-1-2-9-8(3-7)6(4-12-9)5-13-11/h1-3,6,12H,4-5,11H2.
What are the key properties of O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine has a molecular weight of 182.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117202128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).