2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate

C12H11FN2O2 — CID 137292047

IUPAC2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate
SMILESC=C(C)COC(=O)C(=[N+]=[N-])c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-8(2)7-17-12(16)11(15-14)9-5-3-4-6-10(9)13/h3-6H,1,7H2,2H3
InChIKeyGWDZDGLLJPOZIJ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.96
Rot. Bonds4

About 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate

2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate (PubChem CID 137292047) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate
PubChem CID137292047
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate
SMILESC=C(C)COC(=O)C(=[N+]=[N-])c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-8(2)7-17-12(16)11(15-14)9-5-3-4-6-10(9)13/h3-6H,1,7H2,2H3
InChIKeyGWDZDGLLJPOZIJ-UHFFFAOYSA-N
XLogP1.96
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
Methyl 2-diazo-2-[3-(trifluoromethyl)phenyl]acetate
CID 72824273
Methyl 2-diazo-2-(2-fluorophenyl)acetate
CID 73062244
4-(Trifluoromethyl)phenyldiazoacetic acid methyl ester
CID 73115612
Methyl 2-diazo-2-(4-fluorophenyl)acetate
CID 74073861
Tert-butyl 2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 74080449
ethyl (2E)-2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 101885738
Tert-butyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125496707
Tert-butyl 2-diazo-2-(4-fluorophenyl)acetate
CID 135797330
Methyl 2-diazo-2-(3-fluorophenyl)acetate
CID 137292069
Ethyl 2-diazo-2-(4-fluorophenyl)acetate
CID 137300605
Methyl 2-methoxyimino-2-phenylacetate
CID 577152

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate?
The IUPAC name of 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate (CID 137292047) is 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate.
What is the SMILES notation for 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate?
The canonical SMILES for 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate is C=C(C)COC(=O)C(=[N+]=[N-])c1ccccc1F.
What is the InChIKey of 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate?
The InChIKey is GWDZDGLLJPOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8(2)7-17-12(16)11(15-14)9-5-3-4-6-10(9)13/h3-6H,1,7H2,2H3.
What are the key properties of 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate?
2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate has a molecular weight of 234.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 2-diazo-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 137292047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).