(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine

C9H9F2NO — CID 59571779

IUPAC(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine
SMILESC/C=N/OCc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO/c1-2-12-13-6-7-3-4-8(10)9(11)5-7/h2-5H,6H2,1H3/b12-2+
InChIKeyZIVIYLPJTVNUHO-SWGQDTFXSA-N
MW185.17 g/mol
LogP2.49
Rot. Bonds3

About (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine

(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine (PubChem CID 59571779) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine
PubChem CID59571779
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine
SMILESC/C=N/OCc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO/c1-2-12-13-6-7-3-4-8(10)9(11)5-7/h2-5H,6H2,1H3/b12-2+
InChIKeyZIVIYLPJTVNUHO-SWGQDTFXSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-N-[(4-chlorophenyl)methoxy]ethanimine
CID 97307953
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
(3,4-difluorophenyl)methyl formate
CID 87852383
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
(E)-N-[(4-chlorophenyl)methoxy]-2-methylpropan-1-imine
CID 118480607
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
2-[(3,4-difluorophenyl)methoxy]pyrazine
CID 126954833
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine?
The IUPAC name of (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine (CID 59571779) is (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine is C/C=N/OCc1ccc(F)c(F)c1.
What is the InChIKey of (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine?
The InChIKey is ZIVIYLPJTVNUHO-SWGQDTFXSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-2-12-13-6-7-3-4-8(10)9(11)5-7/h2-5H,6H2,1H3/b12-2+.
What are the key properties of (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine?
(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine has a molecular weight of 185.17 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-difluorophenyl)methoxy]ethanimine is sourced from PubChem (CID 59571779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).