2-(aminooxymethyl)-4-fluorophenol

C7H8FNO2 — CID 117276071

IUPAC2-(aminooxymethyl)-4-fluorophenol
SMILESNOCc1cc(F)ccc1O
InChIInChI=1S/C7H8FNO2/c8-6-1-2-7(10)5(3-6)4-11-9/h1-3,10H,4,9H2
InChIKeyJIHQKPPAGKCRFI-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.92
Rot. Bonds2

About 2-(aminooxymethyl)-4-fluorophenol

2-(aminooxymethyl)-4-fluorophenol (PubChem CID 117276071) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 2-(aminooxymethyl)-4-fluorophenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-4-fluorophenol
PubChem CID117276071
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name2-(aminooxymethyl)-4-fluorophenol
SMILESNOCc1cc(F)ccc1O
InChIInChI=1S/C7H8FNO2/c8-6-1-2-7(10)5(3-6)4-11-9/h1-3,10H,4,9H2
InChIKeyJIHQKPPAGKCRFI-UHFFFAOYSA-N
XLogP0.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.92
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

O-[(5-fluoro-2-iodophenyl)methyl]hydroxylamine
CID 130051922
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
4-(aminooxymethyl)-3-fluorophenol
CID 117276067
2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol
CID 117297782
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
CID 117280629
2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117305510
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
CID 117196258
3-(5-fluoro-2-hydroxyphenyl)propanenitrile
CID 130883570
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol
CID 73102234

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-4-fluorophenol?
The IUPAC name of 2-(aminooxymethyl)-4-fluorophenol (CID 117276071) is 2-(aminooxymethyl)-4-fluorophenol.
What is the SMILES notation for 2-(aminooxymethyl)-4-fluorophenol?
The canonical SMILES for 2-(aminooxymethyl)-4-fluorophenol is NOCc1cc(F)ccc1O.
What is the InChIKey of 2-(aminooxymethyl)-4-fluorophenol?
The InChIKey is JIHQKPPAGKCRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c8-6-1-2-7(10)5(3-6)4-11-9/h1-3,10H,4,9H2.
What are the key properties of 2-(aminooxymethyl)-4-fluorophenol?
2-(aminooxymethyl)-4-fluorophenol has a molecular weight of 157.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-4-fluorophenol is sourced from PubChem (CID 117276071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).