[2-fluoro-4-(4-fluorophenyl)phenyl] acetate

C14H10F2O2 — CID 23174133

IUPAC[2-fluoro-4-(4-fluorophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C14H10F2O2/c1-9(17)18-14-7-4-11(8-13(14)16)10-2-5-12(15)6-3-10/h2-8H,1H3
InChIKeyHPVARFHQINKRBJ-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.56
Rot. Bonds2

About [2-fluoro-4-(4-fluorophenyl)phenyl] acetate

[2-fluoro-4-(4-fluorophenyl)phenyl] acetate (PubChem CID 23174133) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is [2-fluoro-4-(4-fluorophenyl)phenyl] acetate.

Molecular Properties

Compound Name[2-fluoro-4-(4-fluorophenyl)phenyl] acetate
PubChem CID23174133
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name[2-fluoro-4-(4-fluorophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C14H10F2O2/c1-9(17)18-14-7-4-11(8-13(14)16)10-2-5-12(15)6-3-10/h2-8H,1H3
InChIKeyHPVARFHQINKRBJ-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.56
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 [2-fluoro-4-(4-fluorophenyl)phenyl] acetate?
The IUPAC name of [2-fluoro-4-(4-fluorophenyl)phenyl] acetate (CID 23174133) is [2-fluoro-4-(4-fluorophenyl)phenyl] acetate.
What is the SMILES notation for [2-fluoro-4-(4-fluorophenyl)phenyl] acetate?
The canonical SMILES for [2-fluoro-4-(4-fluorophenyl)phenyl] acetate is CC(=O)Oc1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of [2-fluoro-4-(4-fluorophenyl)phenyl] acetate?
The InChIKey is HPVARFHQINKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-9(17)18-14-7-4-11(8-13(14)16)10-2-5-12(15)6-3-10/h2-8H,1H3.
What are the key properties of [2-fluoro-4-(4-fluorophenyl)phenyl] acetate?
[2-fluoro-4-(4-fluorophenyl)phenyl] acetate has a molecular weight of 248.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-fluorophenyl)phenyl] acetate is sourced from PubChem (CID 23174133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).