[3,5-bis(4-fluorophenyl)phenyl] formate

C19H12F2O2 — CID 122549194

IUPAC[3,5-bis(4-fluorophenyl)phenyl] formate
SMILESO=COc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H12F2O2/c20-17-5-1-13(2-6-17)15-9-16(11-19(10-15)23-12-22)14-3-7-18(21)8-4-14/h1-12H
InChIKeyFIVDLBLWBCYDIN-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.83
Rot. Bonds4

About [3,5-bis(4-fluorophenyl)phenyl] formate

[3,5-bis(4-fluorophenyl)phenyl] formate (PubChem CID 122549194) has the molecular formula C19H12F2O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is [3,5-bis(4-fluorophenyl)phenyl] formate.

Molecular Properties

Compound Name[3,5-bis(4-fluorophenyl)phenyl] formate
PubChem CID122549194
Molecular FormulaC19H12F2O2
Molecular Weight310.30 g/mol
Exact Mass310.08
IUPAC Name[3,5-bis(4-fluorophenyl)phenyl] formate
SMILESO=COc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H12F2O2/c20-17-5-1-13(2-6-17)15-9-16(11-19(10-15)23-12-22)14-3-7-18(21)8-4-14/h1-12H
InChIKeyFIVDLBLWBCYDIN-UHFFFAOYSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-fluorophenyl)phenyl] formate?
The IUPAC name of [3,5-bis(4-fluorophenyl)phenyl] formate (CID 122549194) is [3,5-bis(4-fluorophenyl)phenyl] formate.
What is the SMILES notation for [3,5-bis(4-fluorophenyl)phenyl] formate?
The canonical SMILES for [3,5-bis(4-fluorophenyl)phenyl] formate is O=COc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of [3,5-bis(4-fluorophenyl)phenyl] formate?
The InChIKey is FIVDLBLWBCYDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2O2/c20-17-5-1-13(2-6-17)15-9-16(11-19(10-15)23-12-22)14-3-7-18(21)8-4-14/h1-12H.
What are the key properties of [3,5-bis(4-fluorophenyl)phenyl] formate?
[3,5-bis(4-fluorophenyl)phenyl] formate has a molecular weight of 310.30 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-fluorophenyl)phenyl] formate is sourced from PubChem (CID 122549194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).