4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol

C8H8FNO3 — CID 136661646

IUPAC4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
SMILESCO/N=C/c1cc(O)c(O)cc1F
InChIInChI=1S/C8H8FNO3/c1-13-10-4-5-2-7(11)8(12)3-6(5)9/h2-4,11-12H,1H3/b10-4+
InChIKeyGXJOPKRMICPVGC-ONNFQVAWSA-N
MW185.15 g/mol
LogP1.22
Rot. Bonds2

About 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol

4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol (PubChem CID 136661646) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
PubChem CID136661646
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
SMILESCO/N=C/c1cc(O)c(O)cc1F
InChIInChI=1S/C8H8FNO3/c1-13-10-4-5-2-7(11)8(12)3-6(5)9/h2-4,11-12H,1H3/b10-4+
InChIKeyGXJOPKRMICPVGC-ONNFQVAWSA-N
XLogP1.22
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The IUPAC name of 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol (CID 136661646) is 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol is CO/N=C/c1cc(O)c(O)cc1F.
What is the InChIKey of 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
The InChIKey is GXJOPKRMICPVGC-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-13-10-4-5-2-7(11)8(12)3-6(5)9/h2-4,11-12H,1H3/b10-4+.
What are the key properties of 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol?
4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol has a molecular weight of 185.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol is sourced from PubChem (CID 136661646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).