1,4-bis[4-(fluoromethyl)phenyl]benzene

C20H16F2 — CID 54396574

IUPAC1,4-bis[4-(fluoromethyl)phenyl]benzene
SMILESFCc1ccc(-c2ccc(-c3ccc(CF)cc3)cc2)cc1
InChIInChI=1S/C20H16F2/c21-13-15-1-5-17(6-2-15)19-9-11-20(12-10-19)18-7-3-16(14-22)4-8-18/h1-12H,13-14H2
InChIKeyVKJTVAWBGLXNAO-UHFFFAOYSA-N
MW294.34 g/mol
LogP5.96
Rot. Bonds4

About 1,4-bis[4-(fluoromethyl)phenyl]benzene

1,4-bis[4-(fluoromethyl)phenyl]benzene (PubChem CID 54396574) has the molecular formula C20H16F2 and a molecular weight of 294.34 g/mol. Its IUPAC name is 1,4-bis[4-(fluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-bis[4-(fluoromethyl)phenyl]benzene
PubChem CID54396574
Molecular FormulaC20H16F2
Molecular Weight294.34 g/mol
Exact Mass294.12
IUPAC Name1,4-bis[4-(fluoromethyl)phenyl]benzene
SMILESFCc1ccc(-c2ccc(-c3ccc(CF)cc3)cc2)cc1
InChIInChI=1S/C20H16F2/c21-13-15-1-5-17(6-2-15)19-9-11-20(12-10-19)18-7-3-16(14-22)4-8-18/h1-12H,13-14H2
InChIKeyVKJTVAWBGLXNAO-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.34
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(fluoromethyl)phenyl]benzene?
The IUPAC name of 1,4-bis[4-(fluoromethyl)phenyl]benzene (CID 54396574) is 1,4-bis[4-(fluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,4-bis[4-(fluoromethyl)phenyl]benzene?
The canonical SMILES for 1,4-bis[4-(fluoromethyl)phenyl]benzene is FCc1ccc(-c2ccc(-c3ccc(CF)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[4-(fluoromethyl)phenyl]benzene?
The InChIKey is VKJTVAWBGLXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2/c21-13-15-1-5-17(6-2-15)19-9-11-20(12-10-19)18-7-3-16(14-22)4-8-18/h1-12H,13-14H2.
What are the key properties of 1,4-bis[4-(fluoromethyl)phenyl]benzene?
1,4-bis[4-(fluoromethyl)phenyl]benzene has a molecular weight of 294.34 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(fluoromethyl)phenyl]benzene is sourced from PubChem (CID 54396574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).