2-(aminooxymethyl)-4,6-difluorophenol

C7H7F2NO2 — CID 117277154

IUPAC2-(aminooxymethyl)-4,6-difluorophenol
SMILESNOCc1cc(F)cc(F)c1O
InChIInChI=1S/C7H7F2NO2/c8-5-1-4(3-12-10)7(11)6(9)2-5/h1-2,11H,3,10H2
InChIKeyBGVLOSDAUWIGQL-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.06
Rot. Bonds2

About 2-(aminooxymethyl)-4,6-difluorophenol

2-(aminooxymethyl)-4,6-difluorophenol (PubChem CID 117277154) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 2-(aminooxymethyl)-4,6-difluorophenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-4,6-difluorophenol
PubChem CID117277154
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name2-(aminooxymethyl)-4,6-difluorophenol
SMILESNOCc1cc(F)cc(F)c1O
InChIInChI=1S/C7H7F2NO2/c8-5-1-4(3-12-10)7(11)6(9)2-5/h1-2,11H,3,10H2
InChIKeyBGVLOSDAUWIGQL-UHFFFAOYSA-N
XLogP1.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.06
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 2-(aminooxymethyl)-4,6-difluorophenol?
The IUPAC name of 2-(aminooxymethyl)-4,6-difluorophenol (CID 117277154) is 2-(aminooxymethyl)-4,6-difluorophenol.
What is the SMILES notation for 2-(aminooxymethyl)-4,6-difluorophenol?
The canonical SMILES for 2-(aminooxymethyl)-4,6-difluorophenol is NOCc1cc(F)cc(F)c1O.
What is the InChIKey of 2-(aminooxymethyl)-4,6-difluorophenol?
The InChIKey is BGVLOSDAUWIGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-5-1-4(3-12-10)7(11)6(9)2-5/h1-2,11H,3,10H2.
What are the key properties of 2-(aminooxymethyl)-4,6-difluorophenol?
2-(aminooxymethyl)-4,6-difluorophenol has a molecular weight of 175.13 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-4,6-difluorophenol is sourced from PubChem (CID 117277154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).