2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol

C7H8FNO3 — CID 84766359

IUPAC2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol
SMILESONCc1c(O)ccc(O)c1F
InChIInChI=1S/C7H8FNO3/c8-7-4(3-9-12)5(10)1-2-6(7)11/h1-2,9-12H,3H2
InChIKeyFWYRLDASGNCKEX-UHFFFAOYSA-N
MW173.14 g/mol
LogP0.72
Rot. Bonds2

About 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol

2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol (PubChem CID 84766359) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol
PubChem CID84766359
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol
SMILESONCc1c(O)ccc(O)c1F
InChIInChI=1S/C7H8FNO3/c8-7-4(3-9-12)5(10)1-2-6(7)11/h1-2,9-12H,3H2
InChIKeyFWYRLDASGNCKEX-UHFFFAOYSA-N
XLogP0.72
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(hydroxyamino)methyl]benzene-1,3-diol
CID 117276038
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
3-(2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84775687
3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
CID 84777573
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
2,4-difluoro-3-(2-hydroxyethyl)phenol
CID 117277061
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol
CID 169387245
2,6-difluoro-3-[(hydroxyamino)methyl]phenol
CID 117277165
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
CID 117281308

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol?
The IUPAC name of 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol (CID 84766359) is 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol.
What is the SMILES notation for 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol?
The canonical SMILES for 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol is ONCc1c(O)ccc(O)c1F.
What is the InChIKey of 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol?
The InChIKey is FWYRLDASGNCKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c8-7-4(3-9-12)5(10)1-2-6(7)11/h1-2,9-12H,3H2.
What are the key properties of 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol?
2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol has a molecular weight of 173.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol is sourced from PubChem (CID 84766359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).