1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene

C20H15FS — CID 15156795

IUPAC1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene
SMILESF/C(=C\c1ccc(-c2ccccc2)cc1)Sc1ccccc1
InChIInChI=1S/C20H15FS/c21-20(22-19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyIRNFGELZCJPION-HMMYKYKNSA-N
MW306.41 g/mol
LogP6.41
Rot. Bonds4

About 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene

1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene (PubChem CID 15156795) has the molecular formula C20H15FS and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene
PubChem CID15156795
Molecular FormulaC20H15FS
Molecular Weight306.41 g/mol
Exact Mass306.09
IUPAC Name1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene
SMILESF/C(=C\c1ccc(-c2ccccc2)cc1)Sc1ccccc1
InChIInChI=1S/C20H15FS/c21-20(22-19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyIRNFGELZCJPION-HMMYKYKNSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene?
The IUPAC name of 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene (CID 15156795) is 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene?
The canonical SMILES for 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene is F/C(=C\c1ccc(-c2ccccc2)cc1)Sc1ccccc1.
What is the InChIKey of 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene?
The InChIKey is IRNFGELZCJPION-HMMYKYKNSA-N. The full InChI is InChI=1S/C20H15FS/c21-20(22-19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+.
What are the key properties of 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene?
1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene has a molecular weight of 306.41 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoro-2-phenylsulfanylethenyl]-4-phenylbenzene is sourced from PubChem (CID 15156795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).