1-(2-fluorophenyl)-2-methoxyethanimine

C9H10FNO — CID 171532895

IUPAC1-(2-fluorophenyl)-2-methoxyethanimine
SMILES[H]/N=C(\COC)c1ccccc1F
InChIInChI=1S/C9H10FNO/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,11H,6H2,1H3/b11-9+
InChIKeyYIYVCAYBSUBPLO-PKNBQFBNSA-N
MW167.18 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-fluorophenyl)-2-methoxyethanimine

1-(2-fluorophenyl)-2-methoxyethanimine (PubChem CID 171532895) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methoxyethanimine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methoxyethanimine
PubChem CID171532895
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-(2-fluorophenyl)-2-methoxyethanimine
SMILES[H]/N=C(\COC)c1ccccc1F
InChIInChI=1S/C9H10FNO/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,11H,6H2,1H3/b11-9+
InChIKeyYIYVCAYBSUBPLO-PKNBQFBNSA-N
XLogP1.84
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-phenylacetimidate hydrochloride
CID 12218775
2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 58046602
Methyl 2-phenylethanecarboximidate hydrochloride
CID 12433430
5-(Fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102340041
Ethyl 4-fluorobenzimidate
CID 182693
Benzeneethanimidic acid, methyl ester
CID 425538
Ethyl 3-fluorobenzimidate
CID 12282164
2-Fluoro-benzimidic acid ethyl ester
CID 12282166
4-(3,5-difluorophenyl)-5H-oxathiazole 2,2-dioxide
CID 72198918
4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide
CID 131843186
5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-imine
CID 77519307
Methyl 4-(4-fluorophenyl)butanimidate
CID 95437587

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methoxyethanimine?
The IUPAC name of 1-(2-fluorophenyl)-2-methoxyethanimine (CID 171532895) is 1-(2-fluorophenyl)-2-methoxyethanimine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methoxyethanimine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methoxyethanimine is [H]/N=C(\COC)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methoxyethanimine?
The InChIKey is YIYVCAYBSUBPLO-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H10FNO/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,11H,6H2,1H3/b11-9+.
What are the key properties of 1-(2-fluorophenyl)-2-methoxyethanimine?
1-(2-fluorophenyl)-2-methoxyethanimine has a molecular weight of 167.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methoxyethanimine is sourced from PubChem (CID 171532895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).