ethyl 2-(2-fluorophenyl)imino-2-phenylacetate

C16H14FNO2 — CID 54243496

IUPACethyl 2-(2-fluorophenyl)imino-2-phenylacetate
SMILESCCOC(=O)/C(=N\c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H14FNO2/c1-2-20-16(19)15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)17/h3-11H,2H2,1H3/b18-15-
InChIKeyQRQMIDNLMCNLME-SDXDJHTJSA-N
MW271.29 g/mol
LogP3.51
Rot. Bonds4

About ethyl 2-(2-fluorophenyl)imino-2-phenylacetate

ethyl 2-(2-fluorophenyl)imino-2-phenylacetate (PubChem CID 54243496) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenyl)imino-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenyl)imino-2-phenylacetate
PubChem CID54243496
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-(2-fluorophenyl)imino-2-phenylacetate
SMILESCCOC(=O)/C(=N\c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H14FNO2/c1-2-20-16(19)15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)17/h3-11H,2H2,1H3/b18-15-
InChIKeyQRQMIDNLMCNLME-SDXDJHTJSA-N
XLogP3.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 2-(2-fluorophenyl)imino-2-phenylacetate?
The IUPAC name of ethyl 2-(2-fluorophenyl)imino-2-phenylacetate (CID 54243496) is ethyl 2-(2-fluorophenyl)imino-2-phenylacetate.
What is the SMILES notation for ethyl 2-(2-fluorophenyl)imino-2-phenylacetate?
The canonical SMILES for ethyl 2-(2-fluorophenyl)imino-2-phenylacetate is CCOC(=O)/C(=N\c1ccccc1F)c1ccccc1.
What is the InChIKey of ethyl 2-(2-fluorophenyl)imino-2-phenylacetate?
The InChIKey is QRQMIDNLMCNLME-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-2-20-16(19)15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)17/h3-11H,2H2,1H3/b18-15-.
What are the key properties of ethyl 2-(2-fluorophenyl)imino-2-phenylacetate?
ethyl 2-(2-fluorophenyl)imino-2-phenylacetate has a molecular weight of 271.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenyl)imino-2-phenylacetate is sourced from PubChem (CID 54243496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).