2-fluoro-1,4-bis(3-fluorophenyl)benzene

C18H11F3 — CID 58392571

IUPAC2-fluoro-1,4-bis(3-fluorophenyl)benzene
SMILESFc1cccc(-c2ccc(-c3cccc(F)c3)c(F)c2)c1
InChIInChI=1S/C18H11F3/c19-15-5-1-3-12(9-15)13-7-8-17(18(21)11-13)14-4-2-6-16(20)10-14/h1-11H
InChIKeyRAGYDGWUGMINNI-UHFFFAOYSA-N
MW284.28 g/mol
LogP5.44
Rot. Bonds2

About 2-fluoro-1,4-bis(3-fluorophenyl)benzene

2-fluoro-1,4-bis(3-fluorophenyl)benzene (PubChem CID 58392571) has the molecular formula C18H11F3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-fluoro-1,4-bis(3-fluorophenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1,4-bis(3-fluorophenyl)benzene
PubChem CID58392571
Molecular FormulaC18H11F3
Molecular Weight284.28 g/mol
Exact Mass284.08
IUPAC Name2-fluoro-1,4-bis(3-fluorophenyl)benzene
SMILESFc1cccc(-c2ccc(-c3cccc(F)c3)c(F)c2)c1
InChIInChI=1S/C18H11F3/c19-15-5-1-3-12(9-15)13-7-8-17(18(21)11-13)14-4-2-6-16(20)10-14/h1-11H
InChIKeyRAGYDGWUGMINNI-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.28
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-bis(3-fluorophenyl)benzene?
The IUPAC name of 2-fluoro-1,4-bis(3-fluorophenyl)benzene (CID 58392571) is 2-fluoro-1,4-bis(3-fluorophenyl)benzene.
What is the SMILES notation for 2-fluoro-1,4-bis(3-fluorophenyl)benzene?
The canonical SMILES for 2-fluoro-1,4-bis(3-fluorophenyl)benzene is Fc1cccc(-c2ccc(-c3cccc(F)c3)c(F)c2)c1.
What is the InChIKey of 2-fluoro-1,4-bis(3-fluorophenyl)benzene?
The InChIKey is RAGYDGWUGMINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3/c19-15-5-1-3-12(9-15)13-7-8-17(18(21)11-13)14-4-2-6-16(20)10-14/h1-11H.
What are the key properties of 2-fluoro-1,4-bis(3-fluorophenyl)benzene?
2-fluoro-1,4-bis(3-fluorophenyl)benzene has a molecular weight of 284.28 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-bis(3-fluorophenyl)benzene is sourced from PubChem (CID 58392571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).