(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine

C9H10FNO2 — CID 135083783

IUPAC(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine
SMILESCO/N=C/c1ccc(OC)cc1F
InChIInChI=1S/C9H10FNO2/c1-12-8-4-3-7(6-11-13-2)9(10)5-8/h3-6H,1-2H3/b11-6+
InChIKeyYNWBIECATXHPKB-IZZDOVSWSA-N
MW183.18 g/mol
LogP1.81
Rot. Bonds3

About (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine

(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine (PubChem CID 135083783) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine
PubChem CID135083783
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine
SMILESCO/N=C/c1ccc(OC)cc1F
InChIInChI=1S/C9H10FNO2/c1-12-8-4-3-7(6-11-13-2)9(10)5-8/h3-6H,1-2H3/b11-6+
InChIKeyYNWBIECATXHPKB-IZZDOVSWSA-N
XLogP1.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
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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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54221747
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine
CID 91937675
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 54461831
4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 136661646
1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine
CID 72558107
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 103396908
2-fluoro-4-methoxyaniline
CID 3756383
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine
CID 53468138
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine (CID 135083783) is (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine is CO/N=C/c1ccc(OC)cc1F.
What is the InChIKey of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine?
The InChIKey is YNWBIECATXHPKB-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-12-8-4-3-7(6-11-13-2)9(10)5-8/h3-6H,1-2H3/b11-6+.
What are the key properties of (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine?
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine has a molecular weight of 183.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine is sourced from PubChem (CID 135083783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).