1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene

C18H12F2 — CID 57054132

IUPAC1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
SMILESFc1ccc(-c2c(F)cccc2-c2ccccc2)cc1
InChIInChI=1S/C18H12F2/c19-15-11-9-14(10-12-15)18-16(7-4-8-17(18)20)13-5-2-1-3-6-13/h1-12H
InChIKeyOBTODKNKUFOELI-UHFFFAOYSA-N
MW266.29 g/mol
LogP5.30
Rot. Bonds2

About 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene

1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene (PubChem CID 57054132) has the molecular formula C18H12F2 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
PubChem CID57054132
Molecular FormulaC18H12F2
Molecular Weight266.29 g/mol
Exact Mass266.09
IUPAC Name1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
SMILESFc1ccc(-c2c(F)cccc2-c2ccccc2)cc1
InChIInChI=1S/C18H12F2/c19-15-11-9-14(10-12-15)18-16(7-4-8-17(18)20)13-5-2-1-3-6-13/h1-12H
InChIKeyOBTODKNKUFOELI-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.29
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene?
The IUPAC name of 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene (CID 57054132) is 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene.
What is the SMILES notation for 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene?
The canonical SMILES for 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene is Fc1ccc(-c2c(F)cccc2-c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene?
The InChIKey is OBTODKNKUFOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2/c19-15-11-9-14(10-12-15)18-16(7-4-8-17(18)20)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene?
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene has a molecular weight of 266.29 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene is sourced from PubChem (CID 57054132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).