2,6-difluoro-3-[(hydroxyamino)methyl]phenol

C7H7F2NO2 — CID 117277165

IUPAC2,6-difluoro-3-[(hydroxyamino)methyl]phenol
SMILESONCc1ccc(F)c(O)c1F
InChIInChI=1S/C7H7F2NO2/c8-5-2-1-4(3-10-12)6(9)7(5)11/h1-2,10-12H,3H2
InChIKeyVANPFIMWZIEBRE-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.15
Rot. Bonds2

About 2,6-difluoro-3-[(hydroxyamino)methyl]phenol

2,6-difluoro-3-[(hydroxyamino)methyl]phenol (PubChem CID 117277165) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 2,6-difluoro-3-[(hydroxyamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-3-[(hydroxyamino)methyl]phenol
PubChem CID117277165
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name2,6-difluoro-3-[(hydroxyamino)methyl]phenol
SMILESONCc1ccc(F)c(O)c1F
InChIInChI=1S/C7H7F2NO2/c8-5-2-1-4(3-10-12)6(9)7(5)11/h1-2,10-12H,3H2
InChIKeyVANPFIMWZIEBRE-UHFFFAOYSA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
CID 84780927
N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
CID 117111115
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
2,4-difluorobenzene-1,3-diol
CID 10844515
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
CID 84765578
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
CID 117280653
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117295401
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(hydroxyamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-3-[(hydroxyamino)methyl]phenol (CID 117277165) is 2,6-difluoro-3-[(hydroxyamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-3-[(hydroxyamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-3-[(hydroxyamino)methyl]phenol is ONCc1ccc(F)c(O)c1F.
What is the InChIKey of 2,6-difluoro-3-[(hydroxyamino)methyl]phenol?
The InChIKey is VANPFIMWZIEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-5-2-1-4(3-10-12)6(9)7(5)11/h1-2,10-12H,3H2.
What are the key properties of 2,6-difluoro-3-[(hydroxyamino)methyl]phenol?
2,6-difluoro-3-[(hydroxyamino)methyl]phenol has a molecular weight of 175.13 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(hydroxyamino)methyl]phenol is sourced from PubChem (CID 117277165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).