4-(2-aminooxy-1,1-difluoroethyl)phenol

C8H9F2NO2 — CID 115017673

IUPAC4-(2-aminooxy-1,1-difluoroethyl)phenol
SMILESNOCC(F)(F)c1ccc(O)cc1
InChIInChI=1S/C8H9F2NO2/c9-8(10,5-13-11)6-1-3-7(12)4-2-6/h1-4,12H,5,11H2
InChIKeyHCHSSHWOTMFQHK-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.37
Rot. Bonds3

About 4-(2-aminooxy-1,1-difluoroethyl)phenol

4-(2-aminooxy-1,1-difluoroethyl)phenol (PubChem CID 115017673) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 4-(2-aminooxy-1,1-difluoroethyl)phenol.

Molecular Properties

Compound Name4-(2-aminooxy-1,1-difluoroethyl)phenol
PubChem CID115017673
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name4-(2-aminooxy-1,1-difluoroethyl)phenol
SMILESNOCC(F)(F)c1ccc(O)cc1
InChIInChI=1S/C8H9F2NO2/c9-8(10,5-13-11)6-1-3-7(12)4-2-6/h1-4,12H,5,11H2
InChIKeyHCHSSHWOTMFQHK-UHFFFAOYSA-N
XLogP1.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-aminooxy-1,1-difluoroethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminooxy-1,1-difluoroethyl)phenol?
The IUPAC name of 4-(2-aminooxy-1,1-difluoroethyl)phenol (CID 115017673) is 4-(2-aminooxy-1,1-difluoroethyl)phenol.
What is the SMILES notation for 4-(2-aminooxy-1,1-difluoroethyl)phenol?
The canonical SMILES for 4-(2-aminooxy-1,1-difluoroethyl)phenol is NOCC(F)(F)c1ccc(O)cc1.
What is the InChIKey of 4-(2-aminooxy-1,1-difluoroethyl)phenol?
The InChIKey is HCHSSHWOTMFQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-8(10,5-13-11)6-1-3-7(12)4-2-6/h1-4,12H,5,11H2.
What are the key properties of 4-(2-aminooxy-1,1-difluoroethyl)phenol?
4-(2-aminooxy-1,1-difluoroethyl)phenol has a molecular weight of 189.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminooxy-1,1-difluoroethyl)phenol is sourced from PubChem (CID 115017673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).