ethyl 2-fluoro-2-phenyliminoacetate

C10H10FNO2 — CID 139818709

IUPACethyl 2-fluoro-2-phenyliminoacetate
SMILESCCOC(=O)/C(F)=N/c1ccccc1
InChIInChI=1S/C10H10FNO2/c1-2-14-10(13)9(11)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3/b12-9-
InChIKeyVZVOZPRZPXKUKU-XFXZXTDPSA-N
MW195.19 g/mol
LogP2.25
Rot. Bonds3

About ethyl 2-fluoro-2-phenyliminoacetate

ethyl 2-fluoro-2-phenyliminoacetate (PubChem CID 139818709) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-phenyliminoacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-phenyliminoacetate
PubChem CID139818709
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Nameethyl 2-fluoro-2-phenyliminoacetate
SMILESCCOC(=O)/C(F)=N/c1ccccc1
InChIInChI=1S/C10H10FNO2/c1-2-14-10(13)9(11)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3/b12-9-
InChIKeyVZVOZPRZPXKUKU-XFXZXTDPSA-N
XLogP2.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.25
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-fluoro-2-phenyliminoacetate?
The IUPAC name of ethyl 2-fluoro-2-phenyliminoacetate (CID 139818709) is ethyl 2-fluoro-2-phenyliminoacetate.
What is the SMILES notation for ethyl 2-fluoro-2-phenyliminoacetate?
The canonical SMILES for ethyl 2-fluoro-2-phenyliminoacetate is CCOC(=O)/C(F)=N/c1ccccc1.
What is the InChIKey of ethyl 2-fluoro-2-phenyliminoacetate?
The InChIKey is VZVOZPRZPXKUKU-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-14-10(13)9(11)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3/b12-9-.
What are the key properties of ethyl 2-fluoro-2-phenyliminoacetate?
ethyl 2-fluoro-2-phenyliminoacetate has a molecular weight of 195.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-phenyliminoacetate is sourced from PubChem (CID 139818709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).