1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene

C21H16F2 — CID 72708016

IUPAC1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene
SMILESCc1ccc(C(=C(F)F)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H16F2/c1-15-7-9-18(10-8-15)20(21(22)23)19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyGBKDZIHQNOOJGV-UHFFFAOYSA-N
MW306.36 g/mol
LogP6.32
Rot. Bonds3

About 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene

1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene (PubChem CID 72708016) has the molecular formula C21H16F2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene
PubChem CID72708016
Molecular FormulaC21H16F2
Molecular Weight306.36 g/mol
Exact Mass306.12
IUPAC Name1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene
SMILESCc1ccc(C(=C(F)F)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H16F2/c1-15-7-9-18(10-8-15)20(21(22)23)19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyGBKDZIHQNOOJGV-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene?
The IUPAC name of 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene (CID 72708016) is 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene.
What is the SMILES notation for 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene?
The canonical SMILES for 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene is Cc1ccc(C(=C(F)F)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene?
The InChIKey is GBKDZIHQNOOJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2/c1-15-7-9-18(10-8-15)20(21(22)23)19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene?
1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene has a molecular weight of 306.36 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene is sourced from PubChem (CID 72708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).