O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine

C9H11FN2O — CID 117199931

IUPACO-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
SMILESNOCC1CNc2cccc(F)c21
InChIInChI=1S/C9H11FN2O/c10-7-2-1-3-8-9(7)6(4-12-8)5-13-11/h1-3,6,12H,4-5,11H2
InChIKeyHYWZMRJFZGSBMF-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.23
Rot. Bonds2

About O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine

O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine (PubChem CID 117199931) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
PubChem CID117199931
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC NameO-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
SMILESNOCC1CNc2cccc(F)c21
InChIInChI=1S/C9H11FN2O/c10-7-2-1-3-8-9(7)6(4-12-8)5-13-11/h1-3,6,12H,4-5,11H2
InChIKeyHYWZMRJFZGSBMF-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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Related Compounds

1-(4-fluoro-2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117199925
O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
CID 117202128
O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117199932
3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine
CID 117199340
5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline
CID 105439383
3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole
CID 83915674
3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile
CID 162420742
3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104047
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104050
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409

Frequently Asked Questions

What is the IUPAC name of O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine (CID 117199931) is O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine is NOCC1CNc2cccc(F)c21.
What is the InChIKey of O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
The InChIKey is HYWZMRJFZGSBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-7-2-1-3-8-9(7)6(4-12-8)5-13-11/h1-3,6,12H,4-5,11H2.
What are the key properties of O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine?
O-[(4-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-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117199931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).