(2-fluorophenyl) 2-(4-fluorophenyl)acetate

C14H10F2O2 — CID 673748

IUPAC(2-fluorophenyl) 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)Oc1ccccc1F
InChIInChI=1S/C14H10F2O2/c15-11-7-5-10(6-8-11)9-14(17)18-13-4-2-1-3-12(13)16/h1-8H,9H2
InChIKeyKGACYQHZLUUREH-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.11
Rot. Bonds3

About (2-fluorophenyl) 2-(4-fluorophenyl)acetate

(2-fluorophenyl) 2-(4-fluorophenyl)acetate (PubChem CID 673748) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is (2-fluorophenyl) 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-(4-fluorophenyl)acetate
PubChem CID673748
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name(2-fluorophenyl) 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)Oc1ccccc1F
InChIInChI=1S/C14H10F2O2/c15-11-7-5-10(6-8-11)9-14(17)18-13-4-2-1-3-12(13)16/h1-8H,9H2
InChIKeyKGACYQHZLUUREH-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.11
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-(4-fluorophenyl)acetate?
The IUPAC name of (2-fluorophenyl) 2-(4-fluorophenyl)acetate (CID 673748) is (2-fluorophenyl) 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (2-fluorophenyl) 2-(4-fluorophenyl)acetate?
The canonical SMILES for (2-fluorophenyl) 2-(4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-(4-fluorophenyl)acetate?
The InChIKey is KGACYQHZLUUREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-11-7-5-10(6-8-11)9-14(17)18-13-4-2-1-3-12(13)16/h1-8H,9H2.
What are the key properties of (2-fluorophenyl) 2-(4-fluorophenyl)acetate?
(2-fluorophenyl) 2-(4-fluorophenyl)acetate has a molecular weight of 248.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 673748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).