2-[fluoro(phenyl)methoxy]iminoacetaldehyde

C9H8FNO2 — CID 91156465

IUPAC2-[fluoro(phenyl)methoxy]iminoacetaldehyde
SMILESO=CC=NOC(F)c1ccccc1
InChIInChI=1S/C9H8FNO2/c10-9(13-11-6-7-12)8-4-2-1-3-5-8/h1-7,9H
InChIKeyZDSPWPRDTOVEMT-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.86
Rot. Bonds4

About 2-[fluoro(phenyl)methoxy]iminoacetaldehyde

2-[fluoro(phenyl)methoxy]iminoacetaldehyde (PubChem CID 91156465) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-[fluoro(phenyl)methoxy]iminoacetaldehyde.

Molecular Properties

Compound Name2-[fluoro(phenyl)methoxy]iminoacetaldehyde
PubChem CID91156465
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name2-[fluoro(phenyl)methoxy]iminoacetaldehyde
SMILESO=CC=NOC(F)c1ccccc1
InChIInChI=1S/C9H8FNO2/c10-9(13-11-6-7-12)8-4-2-1-3-5-8/h1-7,9H
InChIKeyZDSPWPRDTOVEMT-UHFFFAOYSA-N
XLogP1.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2-[fluoro(phenyl)methoxy]iminoacetaldehyde?
The IUPAC name of 2-[fluoro(phenyl)methoxy]iminoacetaldehyde (CID 91156465) is 2-[fluoro(phenyl)methoxy]iminoacetaldehyde.
What is the SMILES notation for 2-[fluoro(phenyl)methoxy]iminoacetaldehyde?
The canonical SMILES for 2-[fluoro(phenyl)methoxy]iminoacetaldehyde is O=CC=NOC(F)c1ccccc1.
What is the InChIKey of 2-[fluoro(phenyl)methoxy]iminoacetaldehyde?
The InChIKey is ZDSPWPRDTOVEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-9(13-11-6-7-12)8-4-2-1-3-5-8/h1-7,9H.
What are the key properties of 2-[fluoro(phenyl)methoxy]iminoacetaldehyde?
2-[fluoro(phenyl)methoxy]iminoacetaldehyde has a molecular weight of 181.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(phenyl)methoxy]iminoacetaldehyde is sourced from PubChem (CID 91156465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).