1-ethyl-3,5-bis(4-fluorophenyl)benzene

C20H16F2 — CID 130381360

IUPAC1-ethyl-3,5-bis(4-fluorophenyl)benzene
SMILESCCc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H16F2/c1-2-14-11-17(15-3-7-19(21)8-4-15)13-18(12-14)16-5-9-20(22)10-6-16/h3-13H,2H2,1H3
InChIKeyLGPYJMPVXPXNJN-UHFFFAOYSA-N
MW294.34 g/mol
LogP5.86
Rot. Bonds3

About 1-ethyl-3,5-bis(4-fluorophenyl)benzene

1-ethyl-3,5-bis(4-fluorophenyl)benzene (PubChem CID 130381360) has the molecular formula C20H16F2 and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-ethyl-3,5-bis(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-ethyl-3,5-bis(4-fluorophenyl)benzene
PubChem CID130381360
Molecular FormulaC20H16F2
Molecular Weight294.34 g/mol
Exact Mass294.12
IUPAC Name1-ethyl-3,5-bis(4-fluorophenyl)benzene
SMILESCCc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H16F2/c1-2-14-11-17(15-3-7-19(21)8-4-15)13-18(12-14)16-5-9-20(22)10-6-16/h3-13H,2H2,1H3
InChIKeyLGPYJMPVXPXNJN-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.34
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-bis(4-fluorophenyl)benzene?
The IUPAC name of 1-ethyl-3,5-bis(4-fluorophenyl)benzene (CID 130381360) is 1-ethyl-3,5-bis(4-fluorophenyl)benzene.
What is the SMILES notation for 1-ethyl-3,5-bis(4-fluorophenyl)benzene?
The canonical SMILES for 1-ethyl-3,5-bis(4-fluorophenyl)benzene is CCc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-ethyl-3,5-bis(4-fluorophenyl)benzene?
The InChIKey is LGPYJMPVXPXNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2/c1-2-14-11-17(15-3-7-19(21)8-4-15)13-18(12-14)16-5-9-20(22)10-6-16/h3-13H,2H2,1H3.
What are the key properties of 1-ethyl-3,5-bis(4-fluorophenyl)benzene?
1-ethyl-3,5-bis(4-fluorophenyl)benzene has a molecular weight of 294.34 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-bis(4-fluorophenyl)benzene is sourced from PubChem (CID 130381360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).