methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate

C15H11FN2O2 — CID 176522394

IUPACmethyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)14(18-17)11-7-5-10(6-8-11)12-3-2-4-13(16)9-12/h2-9H,1H3
InChIKeyNPLUNODGIVHQFK-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.68
Rot. Bonds3

About methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate

methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate (PubChem CID 176522394) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate
PubChem CID176522394
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Namemethyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)14(18-17)11-7-5-10(6-8-11)12-3-2-4-13(16)9-12/h2-9H,1H3
InChIKeyNPLUNODGIVHQFK-UHFFFAOYSA-N
XLogP2.68
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.68
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-methoxyimino-2-[2-[(1E,3E)-4-[2-(trifluoromethyl)phenyl]buta-1,3-dienyl]phenyl]acetate
CID 44368851
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
methyl (2E)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetate
CID 44368959
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate?
The IUPAC name of methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate (CID 176522394) is methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate?
The canonical SMILES for methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate is COC(=O)C(=[N+]=[N-])c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate?
The InChIKey is NPLUNODGIVHQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-15(19)14(18-17)11-7-5-10(6-8-11)12-3-2-4-13(16)9-12/h2-9H,1H3.
What are the key properties of methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate?
methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate has a molecular weight of 270.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-[4-(3-fluorophenyl)phenyl]acetate is sourced from PubChem (CID 176522394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).