2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene

C22H21F — CID 134273598

IUPAC2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C22H21F/c1-16-3-7-18(8-4-16)13-20-11-12-21(22(23)15-20)14-19-9-5-17(2)6-10-19/h3-12,15H,13-14H2,1-2H3
InChIKeyGUPKIUQGGGEKMZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP5.62
Rot. Bonds4

About 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene

2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene (PubChem CID 134273598) has the molecular formula C22H21F and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
PubChem CID134273598
Molecular FormulaC22H21F
Molecular Weight304.41 g/mol
Exact Mass304.16
IUPAC Name2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C22H21F/c1-16-3-7-18(8-4-16)13-20-11-12-21(22(23)15-20)14-19-9-5-17(2)6-10-19/h3-12,15H,13-14H2,1-2H3
InChIKeyGUPKIUQGGGEKMZ-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 55.62
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[(4-methylphenyl)methyl]benzene?
The IUPAC name of 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene (CID 134273598) is 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene?
The InChIKey is GUPKIUQGGGEKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F/c1-16-3-7-18(8-4-16)13-20-11-12-21(22(23)15-20)14-19-9-5-17(2)6-10-19/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene?
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene has a molecular weight of 304.41 g/mol, XLogP of 5.62, 4 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[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 134273598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).