phenyl 2-fluoroacetate

C8H7FO2 — CID 9829

IUPACphenyl 2-fluoroacetate
SMILESO=C(CF)Oc1ccccc1
InChIInChI=1S/C8H7FO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyHSLTXXUPJDQIFD-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.56
Rot. Bonds2

About phenyl 2-fluoroacetate

phenyl 2-fluoroacetate (PubChem CID 9829) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is phenyl 2-fluoroacetate.

Molecular Properties

Compound Namephenyl 2-fluoroacetate
PubChem CID9829
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Namephenyl 2-fluoroacetate
SMILESO=C(CF)Oc1ccccc1
InChIInChI=1S/C8H7FO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyHSLTXXUPJDQIFD-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-fluoroacetate?
The IUPAC name of phenyl 2-fluoroacetate (CID 9829) is phenyl 2-fluoroacetate.
What is the SMILES notation for phenyl 2-fluoroacetate?
The canonical SMILES for phenyl 2-fluoroacetate is O=C(CF)Oc1ccccc1.
What is the InChIKey of phenyl 2-fluoroacetate?
The InChIKey is HSLTXXUPJDQIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of phenyl 2-fluoroacetate?
phenyl 2-fluoroacetate has a molecular weight of 154.14 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-fluoroacetate is sourced from PubChem (CID 9829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).