1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine

C14H11ClFN — CID 139245867

IUPAC1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine
SMILESC/C(=N\c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClFN/c1-10(11-3-2-4-12(15)9-11)17-14-7-5-13(16)6-8-14/h2-9H,1H3/b17-10+
InChIKeyZQFYVNFKLGVAEJ-LICLKQGHSA-N
MW247.70 g/mol
LogP4.62
Rot. Bonds2

About 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine

1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine (PubChem CID 139245867) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine
PubChem CID139245867
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC Name1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine
SMILESC/C(=N\c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClFN/c1-10(11-3-2-4-12(15)9-11)17-14-7-5-13(16)6-8-14/h2-9H,1H3/b17-10+
InChIKeyZQFYVNFKLGVAEJ-LICLKQGHSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine (CID 139245867) is 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine is C/C(=N\c1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine?
The InChIKey is ZQFYVNFKLGVAEJ-LICLKQGHSA-N. The full InChI is InChI=1S/C14H11ClFN/c1-10(11-3-2-4-12(15)9-11)17-14-7-5-13(16)6-8-14/h2-9H,1H3/b17-10+.
What are the key properties of 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine?
1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine has a molecular weight of 247.70 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-fluorophenyl)ethanimine is sourced from PubChem (CID 139245867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).