[4-(2,3-difluorophenyl)phenyl] formate

C13H8F2O2 — CID 126522814

IUPAC[4-(2,3-difluorophenyl)phenyl] formate
SMILESO=COc1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C13H8F2O2/c14-12-3-1-2-11(13(12)15)9-4-6-10(7-5-9)17-8-16/h1-8H
InChIKeyGUZWANJOUUXDOG-UHFFFAOYSA-N
MW234.20 g/mol
LogP3.17
Rot. Bonds3

About [4-(2,3-difluorophenyl)phenyl] formate

[4-(2,3-difluorophenyl)phenyl] formate (PubChem CID 126522814) has the molecular formula C13H8F2O2 and a molecular weight of 234.20 g/mol. Its IUPAC name is [4-(2,3-difluorophenyl)phenyl] formate.

Molecular Properties

Compound Name[4-(2,3-difluorophenyl)phenyl] formate
PubChem CID126522814
Molecular FormulaC13H8F2O2
Molecular Weight234.20 g/mol
Exact Mass234.05
IUPAC Name[4-(2,3-difluorophenyl)phenyl] formate
SMILESO=COc1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C13H8F2O2/c14-12-3-1-2-11(13(12)15)9-4-6-10(7-5-9)17-8-16/h1-8H
InChIKeyGUZWANJOUUXDOG-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.17
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 [4-(2,3-difluorophenyl)phenyl] formate?
The IUPAC name of [4-(2,3-difluorophenyl)phenyl] formate (CID 126522814) is [4-(2,3-difluorophenyl)phenyl] formate.
What is the SMILES notation for [4-(2,3-difluorophenyl)phenyl] formate?
The canonical SMILES for [4-(2,3-difluorophenyl)phenyl] formate is O=COc1ccc(-c2cccc(F)c2F)cc1.
What is the InChIKey of [4-(2,3-difluorophenyl)phenyl] formate?
The InChIKey is GUZWANJOUUXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O2/c14-12-3-1-2-11(13(12)15)9-4-6-10(7-5-9)17-8-16/h1-8H.
What are the key properties of [4-(2,3-difluorophenyl)phenyl] formate?
[4-(2,3-difluorophenyl)phenyl] formate has a molecular weight of 234.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluorophenyl)phenyl] formate is sourced from PubChem (CID 126522814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).