(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine

C16H14FNO — CID 102344328

IUPAC(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
SMILESCO/N=C(/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO/c1-19-18-16(14-8-10-15(17)11-9-14)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+,18-16-
InChIKeyXACGRCSAUYZPFI-FOXGNPIRSA-N
MW255.29 g/mol
LogP3.89
Rot. Bonds4

About (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine

(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine (PubChem CID 102344328) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
PubChem CID102344328
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
SMILESCO/N=C(/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO/c1-19-18-16(14-8-10-15(17)11-9-14)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+,18-16-
InChIKeyXACGRCSAUYZPFI-FOXGNPIRSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.89
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)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
CID 166064621
methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate
CID 12987045
(E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 171343697
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate
CID 15262562
(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
CID 69118649
(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
CID 102368885
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
N-[(Z)-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]amino]phthalazin-1-amine
CID 134150340
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059

Frequently Asked Questions

What is the IUPAC name of (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine?
The IUPAC name of (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine (CID 102344328) is (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine?
The canonical SMILES for (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine is CO/N=C(/C=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine?
The InChIKey is XACGRCSAUYZPFI-FOXGNPIRSA-N. The full InChI is InChI=1S/C16H14FNO/c1-19-18-16(14-8-10-15(17)11-9-14)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+,18-16-.
What are the key properties of (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine?
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine has a molecular weight of 255.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 102344328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).