(4-amino-3,5-difluorophenyl)methoxymethanol

C8H9F2NO2 — CID 134461789

IUPAC(4-amino-3,5-difluorophenyl)methoxymethanol
SMILESNc1c(F)cc(COCO)cc1F
InChIInChI=1S/C8H9F2NO2/c9-6-1-5(3-13-4-12)2-7(10)8(6)11/h1-2,12H,3-4,11H2
InChIKeyBKEZVAAAYYSUMY-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.01
Rot. Bonds3

About (4-amino-3,5-difluorophenyl)methoxymethanol

(4-amino-3,5-difluorophenyl)methoxymethanol (PubChem CID 134461789) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is (4-amino-3,5-difluorophenyl)methoxymethanol.

Molecular Properties

Compound Name(4-amino-3,5-difluorophenyl)methoxymethanol
PubChem CID134461789
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name(4-amino-3,5-difluorophenyl)methoxymethanol
SMILESNc1c(F)cc(COCO)cc1F
InChIInChI=1S/C8H9F2NO2/c9-6-1-5(3-13-4-12)2-7(10)8(6)11/h1-2,12H,3-4,11H2
InChIKeyBKEZVAAAYYSUMY-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-amino-3,5-difluorophenyl)methoxymethanol 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-amino-3,5-difluorophenyl)methoxymethanol?
The IUPAC name of (4-amino-3,5-difluorophenyl)methoxymethanol (CID 134461789) is (4-amino-3,5-difluorophenyl)methoxymethanol.
What is the SMILES notation for (4-amino-3,5-difluorophenyl)methoxymethanol?
The canonical SMILES for (4-amino-3,5-difluorophenyl)methoxymethanol is Nc1c(F)cc(COCO)cc1F.
What is the InChIKey of (4-amino-3,5-difluorophenyl)methoxymethanol?
The InChIKey is BKEZVAAAYYSUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-6-1-5(3-13-4-12)2-7(10)8(6)11/h1-2,12H,3-4,11H2.
What are the key properties of (4-amino-3,5-difluorophenyl)methoxymethanol?
(4-amino-3,5-difluorophenyl)methoxymethanol has a molecular weight of 189.16 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-difluorophenyl)methoxymethanol is sourced from PubChem (CID 134461789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).