2,6-difluoro-4-[(methoxyamino)methyl]phenol

C8H9F2NO2 — CID 82707251

IUPAC2,6-difluoro-4-[(methoxyamino)methyl]phenol
SMILESCONCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H9F2NO2/c1-13-11-4-5-2-6(9)8(12)7(10)3-5/h2-3,11-12H,4H2,1H3
InChIKeyHBZPKLXPLYBDKA-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.32
Rot. Bonds3

About 2,6-difluoro-4-[(methoxyamino)methyl]phenol

2,6-difluoro-4-[(methoxyamino)methyl]phenol (PubChem CID 82707251) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2,6-difluoro-4-[(methoxyamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(methoxyamino)methyl]phenol
PubChem CID82707251
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2,6-difluoro-4-[(methoxyamino)methyl]phenol
SMILESCONCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H9F2NO2/c1-13-11-4-5-2-6(9)8(12)7(10)3-5/h2-3,11-12H,4H2,1H3
InChIKeyHBZPKLXPLYBDKA-UHFFFAOYSA-N
XLogP1.32
TPSA41.49 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 ≤ 51.32
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

N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
4-[(ethoxyamino)methyl]-2,6-difluorophenol
CID 82709745
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
1-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-N-methoxymethanamine
CID 117343938
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115680060
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
CID 117280653
5-[(methoxyamino)methyl]-2,3-dimethylphenol
CID 117278874

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(methoxyamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(methoxyamino)methyl]phenol (CID 82707251) is 2,6-difluoro-4-[(methoxyamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(methoxyamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(methoxyamino)methyl]phenol is CONCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[(methoxyamino)methyl]phenol?
The InChIKey is HBZPKLXPLYBDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-13-11-4-5-2-6(9)8(12)7(10)3-5/h2-3,11-12H,4H2,1H3.
What are the key properties of 2,6-difluoro-4-[(methoxyamino)methyl]phenol?
2,6-difluoro-4-[(methoxyamino)methyl]phenol has a molecular weight of 189.16 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(methoxyamino)methyl]phenol is sourced from PubChem (CID 82707251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).