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

C15H10F2N2O2 — CID 176522399

IUPACmethyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C15H10F2N2O2/c1-21-15(20)14(19-18)10-4-2-3-9(7-10)12-6-5-11(16)8-13(12)17/h2-8H,1H3
InChIKeyJJQSIKWGOIWVOP-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.82
Rot. Bonds3

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

methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate (PubChem CID 176522399) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate
PubChem CID176522399
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Namemethyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C15H10F2N2O2/c1-21-15(20)14(19-18)10-4-2-3-9(7-10)12-6-5-11(16)8-13(12)17/h2-8H,1H3
InChIKeyJJQSIKWGOIWVOP-UHFFFAOYSA-N
XLogP2.82
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.82
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 (2Z)-2-hydroxyimino-2-[3-[(Z)-N-hydroxy-C-methoxycarbonylcarbonimidoyl]phenyl]acetate
CID 44446348
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate?
The IUPAC name of methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate (CID 176522399) is methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate?
The canonical SMILES for methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate is COC(=O)C(=[N+]=[N-])c1cccc(-c2ccc(F)cc2F)c1.
What is the InChIKey of methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate?
The InChIKey is JJQSIKWGOIWVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-21-15(20)14(19-18)10-4-2-3-9(7-10)12-6-5-11(16)8-13(12)17/h2-8H,1H3.
What are the key properties of methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate?
methyl 2-diazo-2-[3-(2,4-difluorophenyl)phenyl]acetate has a molecular weight of 288.25 g/mol, XLogP of 2.82, 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-[3-(2,4-difluorophenyl)phenyl]acetate is sourced from PubChem (CID 176522399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).