ethyl N-(4-fluorophenyl)ethanimidate

C10H12FNO — CID 142881386

IUPACethyl N-(4-fluorophenyl)ethanimidate
SMILESCCO/C(C)=N/c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-3-13-8(2)12-10-6-4-9(11)5-7-10/h4-7H,3H2,1-2H3/b12-8+
InChIKeyCUQZLHHYUYOBOC-XYOKQWHBSA-N
MW181.21 g/mol
LogP2.91
Rot. Bonds2

About ethyl N-(4-fluorophenyl)ethanimidate

ethyl N-(4-fluorophenyl)ethanimidate (PubChem CID 142881386) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is ethyl N-(4-fluorophenyl)ethanimidate.

Molecular Properties

Compound Nameethyl N-(4-fluorophenyl)ethanimidate
PubChem CID142881386
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Nameethyl N-(4-fluorophenyl)ethanimidate
SMILESCCO/C(C)=N/c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-3-13-8(2)12-10-6-4-9(11)5-7-10/h4-7H,3H2,1-2H3/b12-8+
InChIKeyCUQZLHHYUYOBOC-XYOKQWHBSA-N
XLogP2.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluorophenyl)ethanimidate?
The IUPAC name of ethyl N-(4-fluorophenyl)ethanimidate (CID 142881386) is ethyl N-(4-fluorophenyl)ethanimidate.
What is the SMILES notation for ethyl N-(4-fluorophenyl)ethanimidate?
The canonical SMILES for ethyl N-(4-fluorophenyl)ethanimidate is CCO/C(C)=N/c1ccc(F)cc1.
What is the InChIKey of ethyl N-(4-fluorophenyl)ethanimidate?
The InChIKey is CUQZLHHYUYOBOC-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-13-8(2)12-10-6-4-9(11)5-7-10/h4-7H,3H2,1-2H3/b12-8+.
What are the key properties of ethyl N-(4-fluorophenyl)ethanimidate?
ethyl N-(4-fluorophenyl)ethanimidate has a molecular weight of 181.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluorophenyl)ethanimidate is sourced from PubChem (CID 142881386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).