4-[(ethoxyamino)methyl]-2,6-difluorophenol

C9H11F2NO2 — CID 82709745

IUPAC4-[(ethoxyamino)methyl]-2,6-difluorophenol
SMILESCCONCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H11F2NO2/c1-2-14-12-5-6-3-7(10)9(13)8(11)4-6/h3-4,12-13H,2,5H2,1H3
InChIKeyLZFSVBZXQLXHTN-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.71
Rot. Bonds4

About 4-[(ethoxyamino)methyl]-2,6-difluorophenol

4-[(ethoxyamino)methyl]-2,6-difluorophenol (PubChem CID 82709745) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-[(ethoxyamino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(ethoxyamino)methyl]-2,6-difluorophenol
PubChem CID82709745
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-[(ethoxyamino)methyl]-2,6-difluorophenol
SMILESCCONCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H11F2NO2/c1-2-14-12-5-6-3-7(10)9(13)8(11)4-6/h3-4,12-13H,2,5H2,1H3
InChIKeyLZFSVBZXQLXHTN-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(ethoxyamino)methyl]-2,6-difluorophenol with MolForge

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

Launch Full Analysis

Related Compounds

2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4-[(ethoxyamino)methyl]-2-fluorobenzoic acid
CID 106700147
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
2,6-difluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 79831410
2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 103924370
2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
CID 113251415
2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
CID 79832225
1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
CID 82709759
2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 79891666

Frequently Asked Questions

What is the IUPAC name of 4-[(ethoxyamino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(ethoxyamino)methyl]-2,6-difluorophenol (CID 82709745) is 4-[(ethoxyamino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(ethoxyamino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(ethoxyamino)methyl]-2,6-difluorophenol is CCONCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[(ethoxyamino)methyl]-2,6-difluorophenol?
The InChIKey is LZFSVBZXQLXHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-2-14-12-5-6-3-7(10)9(13)8(11)4-6/h3-4,12-13H,2,5H2,1H3.
What are the key properties of 4-[(ethoxyamino)methyl]-2,6-difluorophenol?
4-[(ethoxyamino)methyl]-2,6-difluorophenol has a molecular weight of 203.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(ethoxyamino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 82709745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).