(2-fluorophenyl)methyl 2-diazoacetate

C9H7FN2O2 — CID 176914167

IUPAC(2-fluorophenyl)methyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCc1ccccc1F
InChIInChI=1S/C9H7FN2O2/c10-8-4-2-1-3-7(8)6-14-9(13)5-12-11/h1-5H,6H2
InChIKeyYDXVAQPHUWLJCX-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.17
Rot. Bonds3

About (2-fluorophenyl)methyl 2-diazoacetate

(2-fluorophenyl)methyl 2-diazoacetate (PubChem CID 176914167) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-diazoacetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-diazoacetate
PubChem CID176914167
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name(2-fluorophenyl)methyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCc1ccccc1F
InChIInChI=1S/C9H7FN2O2/c10-8-4-2-1-3-7(8)6-14-9(13)5-12-11/h1-5H,6H2
InChIKeyYDXVAQPHUWLJCX-UHFFFAOYSA-N
XLogP1.17
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-diazoacetate?
The IUPAC name of (2-fluorophenyl)methyl 2-diazoacetate (CID 176914167) is (2-fluorophenyl)methyl 2-diazoacetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-diazoacetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-diazoacetate is [N-]=[N+]=CC(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-diazoacetate?
The InChIKey is YDXVAQPHUWLJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-8-4-2-1-3-7(8)6-14-9(13)5-12-11/h1-5H,6H2.
What are the key properties of (2-fluorophenyl)methyl 2-diazoacetate?
(2-fluorophenyl)methyl 2-diazoacetate has a molecular weight of 194.17 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-diazoacetate is sourced from PubChem (CID 176914167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).