N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine

C11H12FNO — CID 15420454

IUPACN-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine
SMILESC=COCC/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-2-14-8-7-13-9-10-3-5-11(12)6-4-10/h2-6,9H,1,7-8H2/b13-9+
InChIKeyLRAPZQKFGNICTA-UKTHLTGXSA-N
MW193.22 g/mol
LogP2.40
Rot. Bonds5

About N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine

N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine (PubChem CID 15420454) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine
PubChem CID15420454
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC NameN-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine
SMILESC=COCC/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-2-14-8-7-13-9-10-3-5-11(12)6-4-10/h2-6,9H,1,7-8H2/b13-9+
InChIKeyLRAPZQKFGNICTA-UKTHLTGXSA-N
XLogP2.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine (CID 15420454) is N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine is C=COCC/N=C/c1ccc(F)cc1.
What is the InChIKey of N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine?
The InChIKey is LRAPZQKFGNICTA-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H12FNO/c1-2-14-8-7-13-9-10-3-5-11(12)6-4-10/h2-6,9H,1,7-8H2/b13-9+.
What are the key properties of N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine?
N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine has a molecular weight of 193.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 15420454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).