N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine

C12H11ClFN — CID 145162234

IUPACN-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)Cl)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFN/c1-9(13)7-11(8-15-2)10-3-5-12(14)6-4-10/h3-8H,2H2,1H3/b9-7+,11-8+
InChIKeyRJXFIMBEPWVTLU-BIZFVBGRSA-N
MW223.68 g/mol
LogP4.01
Rot. Bonds3

About N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine

N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine (PubChem CID 145162234) has the molecular formula C12H11ClFN and a molecular weight of 223.68 g/mol. Its IUPAC name is N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine
PubChem CID145162234
Molecular FormulaC12H11ClFN
Molecular Weight223.68 g/mol
Exact Mass223.06
IUPAC NameN-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)Cl)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFN/c1-9(13)7-11(8-15-2)10-3-5-12(14)6-4-10/h3-8H,2H2,1H3/b9-7+,11-8+
InChIKeyRJXFIMBEPWVTLU-BIZFVBGRSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(4-fluorophenyl)methyl]-4-(methylideneamino)but-3-en-2-one
CID 91072181
(Z,3Z)-1-(4-fluorophenyl)-3-[(methylideneamino)methylidene]hex-4-en-1-one
CID 143779389
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
CID 3943522
1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
CID 123675178
N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine
CID 144906825
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
N-[(E)-2-(4-iodophenyl)prop-1-enyl]methanimine
CID 118205000
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
[(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine
CID 146477765
N'-[1-(4-fluorophenyl)ethenyl]ethanimidamide
CID 154967900

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine (CID 145162234) is N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine is C=N/C=C(\C=C(/C)Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine?
The InChIKey is RJXFIMBEPWVTLU-BIZFVBGRSA-N. The full InChI is InChI=1S/C12H11ClFN/c1-9(13)7-11(8-15-2)10-3-5-12(14)6-4-10/h3-8H,2H2,1H3/b9-7+,11-8+.
What are the key properties of N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine?
N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine has a molecular weight of 223.68 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 145162234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).