(2-fluorophenyl) 2-phenylacetate

C14H11FO2 — CID 91699549

IUPAC(2-fluorophenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1F
InChIInChI=1S/C14H11FO2/c15-12-8-4-5-9-13(12)17-14(16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyZYJAMCMIIUEUJK-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.97
Rot. Bonds3

About (2-fluorophenyl) 2-phenylacetate

(2-fluorophenyl) 2-phenylacetate (PubChem CID 91699549) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is (2-fluorophenyl) 2-phenylacetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-phenylacetate
PubChem CID91699549
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name(2-fluorophenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1F
InChIInChI=1S/C14H11FO2/c15-12-8-4-5-9-13(12)17-14(16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyZYJAMCMIIUEUJK-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.97
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 (2-fluorophenyl) 2-phenylacetate?
The IUPAC name of (2-fluorophenyl) 2-phenylacetate (CID 91699549) is (2-fluorophenyl) 2-phenylacetate.
What is the SMILES notation for (2-fluorophenyl) 2-phenylacetate?
The canonical SMILES for (2-fluorophenyl) 2-phenylacetate is O=C(Cc1ccccc1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-phenylacetate?
The InChIKey is ZYJAMCMIIUEUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-12-8-4-5-9-13(12)17-14(16)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of (2-fluorophenyl) 2-phenylacetate?
(2-fluorophenyl) 2-phenylacetate has a molecular weight of 230.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-phenylacetate is sourced from PubChem (CID 91699549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).