methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate

C12H15FN2O2 — CID 91727272

IUPACmethyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate
SMILESCOC(=O)C(/N=C/N(C)C)c1ccccc1F
InChIInChI=1S/C12H15FN2O2/c1-15(2)8-14-11(12(16)17-3)9-6-4-5-7-10(9)13/h4-8,11H,1-3H3/b14-8+
InChIKeyIOGMVOMKFFCYNH-RIYZIHGNSA-N
MW238.26 g/mol
LogP1.63
Rot. Bonds4

About methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate

methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate (PubChem CID 91727272) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate
PubChem CID91727272
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Namemethyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate
SMILESCOC(=O)C(/N=C/N(C)C)c1ccccc1F
InChIInChI=1S/C12H15FN2O2/c1-15(2)8-14-11(12(16)17-3)9-6-4-5-7-10(9)13/h4-8,11H,1-3H3/b14-8+
InChIKeyIOGMVOMKFFCYNH-RIYZIHGNSA-N
XLogP1.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate?
The IUPAC name of methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate (CID 91727272) is methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate is COC(=O)C(/N=C/N(C)C)c1ccccc1F.
What is the InChIKey of methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate?
The InChIKey is IOGMVOMKFFCYNH-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-15(2)8-14-11(12(16)17-3)9-6-4-5-7-10(9)13/h4-8,11H,1-3H3/b14-8+.
What are the key properties of methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate?
methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate has a molecular weight of 238.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylaminomethylideneamino)-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 91727272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).