4-(aminooxymethyl)-3-fluorophenol

C7H8FNO2 — CID 117276067

IUPAC4-(aminooxymethyl)-3-fluorophenol
SMILESNOCc1ccc(O)cc1F
InChIInChI=1S/C7H8FNO2/c8-7-3-6(10)2-1-5(7)4-11-9/h1-3,10H,4,9H2
InChIKeyDKZISGHKLWNGAC-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.92
Rot. Bonds2

About 4-(aminooxymethyl)-3-fluorophenol

4-(aminooxymethyl)-3-fluorophenol (PubChem CID 117276067) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 4-(aminooxymethyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(aminooxymethyl)-3-fluorophenol
PubChem CID117276067
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name4-(aminooxymethyl)-3-fluorophenol
SMILESNOCc1ccc(O)cc1F
InChIInChI=1S/C7H8FNO2/c8-7-3-6(10)2-1-5(7)4-11-9/h1-3,10H,4,9H2
InChIKeyDKZISGHKLWNGAC-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-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
4-(chloromethyl)-3-fluorophenol
CID 54246792
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one
CID 91126584
2-(aminooxymethyl)-4-fluorophenol
CID 117276071
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
CID 117280629
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
3-fluoro-4-(3-methylbutyl)phenol
CID 59755829
1-bromo-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131093105

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-3-fluorophenol?
The IUPAC name of 4-(aminooxymethyl)-3-fluorophenol (CID 117276067) is 4-(aminooxymethyl)-3-fluorophenol.
What is the SMILES notation for 4-(aminooxymethyl)-3-fluorophenol?
The canonical SMILES for 4-(aminooxymethyl)-3-fluorophenol is NOCc1ccc(O)cc1F.
What is the InChIKey of 4-(aminooxymethyl)-3-fluorophenol?
The InChIKey is DKZISGHKLWNGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c8-7-3-6(10)2-1-5(7)4-11-9/h1-3,10H,4,9H2.
What are the key properties of 4-(aminooxymethyl)-3-fluorophenol?
4-(aminooxymethyl)-3-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 4-(aminooxymethyl)-3-fluorophenol is sourced from PubChem (CID 117276067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).