(4-fluorophenyl) 2-diazo-2-phenylacetate

C14H9FN2O2 — CID 162411583

IUPAC(4-fluorophenyl) 2-diazo-2-phenylacetate
SMILES[N-]=[N+]=C(C(=O)Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H9FN2O2/c15-11-6-8-12(9-7-11)19-14(18)13(17-16)10-4-2-1-3-5-10/h1-9H
InChIKeyYHVHMGPGRYUZMR-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.45
Rot. Bonds3

About (4-fluorophenyl) 2-diazo-2-phenylacetate

(4-fluorophenyl) 2-diazo-2-phenylacetate (PubChem CID 162411583) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is (4-fluorophenyl) 2-diazo-2-phenylacetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-diazo-2-phenylacetate
PubChem CID162411583
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name(4-fluorophenyl) 2-diazo-2-phenylacetate
SMILES[N-]=[N+]=C(C(=O)Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H9FN2O2/c15-11-6-8-12(9-7-11)19-14(18)13(17-16)10-4-2-1-3-5-10/h1-9H
InChIKeyYHVHMGPGRYUZMR-UHFFFAOYSA-N
XLogP2.45
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.45
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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Phenyl phenylacetate
CID 164721
4-Fluorophenyl (4-methoxyphenyl)acetate
CID 6458471
4-Fluorophenyl 3-phenylpropanoate
CID 562084
2-Fluorophenyl (4-fluorophenyl)acetate
CID 673748
Benzeneacetic acid, pentafluorophenyl ester
CID 11381084
3-Phenylpropionic acid, 2-fluorophenyl ester
CID 781593
3-Phenylpropionic acid, pentafluorophenyl ester
CID 91699503
3-Methylphenyl 2-(4-fluorophenyl)acetate
CID 673749
2-Phenylacetic acid, 2-fluorophenyl ester
CID 91699549
(2,3,4,5,6-Pentafluorophenyl) 2-(2-fluorophenyl)acetate
CID 154723270
Phenylacetic acid, 3,5-difluorophenyl ester
CID 530817
3-Phenylpropionic acid. 3,5-difluorophenyl ester
CID 530834

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-diazo-2-phenylacetate?
The IUPAC name of (4-fluorophenyl) 2-diazo-2-phenylacetate (CID 162411583) is (4-fluorophenyl) 2-diazo-2-phenylacetate.
What is the SMILES notation for (4-fluorophenyl) 2-diazo-2-phenylacetate?
The canonical SMILES for (4-fluorophenyl) 2-diazo-2-phenylacetate is [N-]=[N+]=C(C(=O)Oc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl) 2-diazo-2-phenylacetate?
The InChIKey is YHVHMGPGRYUZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-6-8-12(9-7-11)19-14(18)13(17-16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (4-fluorophenyl) 2-diazo-2-phenylacetate?
(4-fluorophenyl) 2-diazo-2-phenylacetate has a molecular weight of 256.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-diazo-2-phenylacetate is sourced from PubChem (CID 162411583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).