N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine

C16H13ClFNO — CID 91231927

IUPACN-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine
SMILESC=Cc1ccc(-c2ccc(ON=CC)c(F)c2Cl)cc1
InChIInChI=1S/C16H13ClFNO/c1-3-11-5-7-12(8-6-11)13-9-10-14(20-19-4-2)16(18)15(13)17/h3-10H,1H2,2H3
InChIKeyZZWIWYOTIMZARW-UHFFFAOYSA-N
MW289.74 g/mol
LogP5.17
Rot. Bonds4

About N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine

N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine (PubChem CID 91231927) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine
PubChem CID91231927
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC NameN-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine
SMILESC=Cc1ccc(-c2ccc(ON=CC)c(F)c2Cl)cc1
InChIInChI=1S/C16H13ClFNO/c1-3-11-5-7-12(8-6-11)13-9-10-14(20-19-4-2)16(18)15(13)17/h3-10H,1H2,2H3
InChIKeyZZWIWYOTIMZARW-UHFFFAOYSA-N
XLogP5.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.74
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine?
The IUPAC name of N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine (CID 91231927) is N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine.
What is the SMILES notation for N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine?
The canonical SMILES for N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine is C=Cc1ccc(-c2ccc(ON=CC)c(F)c2Cl)cc1.
What is the InChIKey of N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine?
The InChIKey is ZZWIWYOTIMZARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-3-11-5-7-12(8-6-11)13-9-10-14(20-19-4-2)16(18)15(13)17/h3-10H,1H2,2H3.
What are the key properties of N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine?
N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine has a molecular weight of 289.74 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine is sourced from PubChem (CID 91231927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).