(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine

C10H12FNO3 — CID 91937675

IUPAC(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine
SMILESCO/N=C/c1cc(OC)c(OC)cc1F
InChIInChI=1S/C10H12FNO3/c1-13-9-4-7(6-12-15-3)8(11)5-10(9)14-2/h4-6H,1-3H3/b12-6+
InChIKeyPSAAFQNKRYQTRV-WUXMJOGZSA-N
MW213.21 g/mol
LogP1.82
Rot. Bonds4

About (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine

(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine (PubChem CID 91937675) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine
PubChem CID91937675
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine
SMILESCO/N=C/c1cc(OC)c(OC)cc1F
InChIInChI=1S/C10H12FNO3/c1-13-9-4-7(6-12-15-3)8(11)5-10(9)14-2/h4-6H,1-3H3/b12-6+
InChIKeyPSAAFQNKRYQTRV-WUXMJOGZSA-N
XLogP1.82
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 136661646
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine
CID 135083783
CID 89110154
CID 89110154
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
[(2-fluoro-4,5-dimethoxyphenyl)methylideneamino]thiourea
CID 168534705
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
3-(2-fluoro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 53403843
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
CID 174823899
2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 3458864
(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine
CID 53468138
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine (CID 91937675) is (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine is CO/N=C/c1cc(OC)c(OC)cc1F.
What is the InChIKey of (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine?
The InChIKey is PSAAFQNKRYQTRV-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-13-9-4-7(6-12-15-3)8(11)5-10(9)14-2/h4-6H,1-3H3/b12-6+.
What are the key properties of (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine?
(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine has a molecular weight of 213.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine is sourced from PubChem (CID 91937675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).