4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol

C8H8FNO2 — CID 137191057

IUPAC4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
SMILESCC(=NO)c1cc(F)ccc1O
InChIInChI=1S/C8H8FNO2/c1-5(10-12)7-4-6(9)2-3-8(7)11/h2-4,11-12H,1H3
InChIKeyBHIYFYVQVMMIEK-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.73
Rot. Bonds1

About 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol

4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol (PubChem CID 137191057) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
PubChem CID137191057
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
SMILESCC(=NO)c1cc(F)ccc1O
InChIInChI=1S/C8H8FNO2/c1-5(10-12)7-4-6(9)2-3-8(7)11/h2-4,11-12H,1H3
InChIKeyBHIYFYVQVMMIEK-UHFFFAOYSA-N
XLogP1.73
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The IUPAC name of 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol (CID 137191057) is 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol.
What is the SMILES notation for 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The canonical SMILES for 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol is CC(=NO)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The InChIKey is BHIYFYVQVMMIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5(10-12)7-4-6(9)2-3-8(7)11/h2-4,11-12H,1H3.
What are the key properties of 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol has a molecular weight of 169.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol is sourced from PubChem (CID 137191057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).