(E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine

C23H20FNO2 — CID 141415035

IUPAC(E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1cccc(O/C(F)=C\c2ccccc2)c1
InChIInChI=1S/C23H20FNO2/c1-18(25-26-17-20-11-6-3-7-12-20)21-13-8-14-22(16-21)27-23(24)15-19-9-4-2-5-10-19/h2-16H,17H2,1H3/b23-15-,25-18+
InChIKeyHFUXFQWWYHBIST-VGWZLZENSA-N
MW361.42 g/mol
LogP5.97
Rot. Bonds7

About (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine

(E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine (PubChem CID 141415035) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine
PubChem CID141415035
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name(E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1cccc(O/C(F)=C\c2ccccc2)c1
InChIInChI=1S/C23H20FNO2/c1-18(25-26-17-20-11-6-3-7-12-20)21-13-8-14-22(16-21)27-23(24)15-19-9-4-2-5-10-19/h2-16H,17H2,1H3/b23-15-,25-18+
InChIKeyHFUXFQWWYHBIST-VGWZLZENSA-N
XLogP5.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-[2-[[(E)-1-[3-(1-fluoro-2-phenylethenoxy)phenyl]ethylideneamino]oxymethyl]phenyl]-3-methoxyprop-2-enoate
CID 172940524
2-[2-[[1-[3-(1-fluoro-2-phenylethenoxy)phenyl]ethylideneamino]oxymethyl]phenyl]-3-methoxypropanamide
CID 173469814
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzaldehyde
CID 73433317
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzonitrile
CID 73433324
(E)-1-[3-(isocyanatomethyl)phenyl]-N-phenylmethoxyethanimine
CID 18388874
2-[2-[[[1-[3-(1-fluoro-2-phenylethenoxy)phenyl]-2-iodoethylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 173138833
2-methyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 18388799
[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate
CID 132605863
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
4-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 46566994
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 22968889

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine?
The IUPAC name of (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine (CID 141415035) is (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine is C/C(=N\OCc1ccccc1)c1cccc(O/C(F)=C\c2ccccc2)c1.
What is the InChIKey of (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine?
The InChIKey is HFUXFQWWYHBIST-VGWZLZENSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-18(25-26-17-20-11-6-3-7-12-20)21-13-8-14-22(16-21)27-23(24)15-19-9-4-2-5-10-19/h2-16H,17H2,1H3/b23-15-,25-18+.
What are the key properties of (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine?
(E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine has a molecular weight of 361.42 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[(E)-1-fluoro-2-phenylethenoxy]phenyl]-N-phenylmethoxyethanimine is sourced from PubChem (CID 141415035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).