1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine

C15H12F3NO — CID 142418631

IUPAC1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine
SMILESCCON=Cc1ccc(-c2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C15H12F3NO/c1-2-20-19-9-10-3-4-14(15(18)5-10)11-6-12(16)8-13(17)7-11/h3-9H,2H2,1H3
InChIKeyWIZSJLUDBIDIDB-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.14
Rot. Bonds4

About 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine

1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine (PubChem CID 142418631) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine
PubChem CID142418631
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine
SMILESCCON=Cc1ccc(-c2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C15H12F3NO/c1-2-20-19-9-10-3-4-14(15(18)5-10)11-6-12(16)8-13(17)7-11/h3-9H,2H2,1H3
InChIKeyWIZSJLUDBIDIDB-UHFFFAOYSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.14
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

(E)-N-ethoxy-1-naphthalen-2-ylmethanimine
CID 89064505
N-ethoxy-1-[4-(2-methylphenyl)phenyl]methanimine
CID 72558105
3-fluoro-4-(3-fluoro-5-methylphenyl)benzaldehyde
CID 81447027
4-(ethoxyiminomethyl)aniline
CID 123299913
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
4-(3,5-difluorophenyl)-3-methylbenzaldehyde
CID 81448215
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856145
4-[(E)-4-bromo-2-methylbut-1-enyl]-2-fluoro-1-phenylbenzene
CID 162406072

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine?
The IUPAC name of 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine (CID 142418631) is 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine is CCON=Cc1ccc(-c2cc(F)cc(F)c2)c(F)c1.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine?
The InChIKey is WIZSJLUDBIDIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-2-20-19-9-10-3-4-14(15(18)5-10)11-6-12(16)8-13(17)7-11/h3-9H,2H2,1H3.
What are the key properties of 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine?
1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine has a molecular weight of 279.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)-3-fluorophenyl]-N-ethoxymethanimine is sourced from PubChem (CID 142418631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).