4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol

C8H7F2NO2 — CID 136661647

IUPAC4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol
SMILESCO/N=C/c1cc(F)c(F)cc1O
InChIInChI=1S/C8H7F2NO2/c1-13-11-4-5-2-6(9)7(10)3-8(5)12/h2-4,12H,1H3/b11-4+
InChIKeyLUEVKMYKHJGIEC-NYYWCZLTSA-N
MW187.15 g/mol
LogP1.65
Rot. Bonds2

About 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol

4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol (PubChem CID 136661647) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol.

Molecular Properties

Compound Name4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol
PubChem CID136661647
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol
SMILESCO/N=C/c1cc(F)c(F)cc1O
InChIInChI=1S/C8H7F2NO2/c1-13-11-4-5-2-6(9)7(10)3-8(5)12/h2-4,12H,1H3/b11-4+
InChIKeyLUEVKMYKHJGIEC-NYYWCZLTSA-N
XLogP1.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol?
The IUPAC name of 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol (CID 136661647) is 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol.
What is the SMILES notation for 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol?
The canonical SMILES for 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol is CO/N=C/c1cc(F)c(F)cc1O.
What is the InChIKey of 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol?
The InChIKey is LUEVKMYKHJGIEC-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-13-11-4-5-2-6(9)7(10)3-8(5)12/h2-4,12H,1H3/b11-4+.
What are the key properties of 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol?
4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol has a molecular weight of 187.15 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[(E)-methoxyiminomethyl]phenol is sourced from PubChem (CID 136661647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).