1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene

C21H17FOS — CID 11914677

IUPAC1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene
SMILESCc1ccc([S@@](=O)/C(F)=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17FOS/c1-16-7-13-20(14-8-16)24(23)21(22)15-17-9-11-19(12-10-17)18-5-3-2-4-6-18/h2-15H,1H3/b21-15+/t24-/m1/s1
InChIKeyYQBVNZLSAQHDQM-INJUALFYSA-N
MW336.43 g/mol
LogP5.74
Rot. Bonds4

About 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene

1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene (PubChem CID 11914677) has the molecular formula C21H17FOS and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene
PubChem CID11914677
Molecular FormulaC21H17FOS
Molecular Weight336.43 g/mol
Exact Mass336.10
IUPAC Name1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene
SMILESCc1ccc([S@@](=O)/C(F)=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17FOS/c1-16-7-13-20(14-8-16)24(23)21(22)15-17-9-11-19(12-10-17)18-5-3-2-4-6-18/h2-15H,1H3/b21-15+/t24-/m1/s1
InChIKeyYQBVNZLSAQHDQM-INJUALFYSA-N
XLogP5.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene?
The IUPAC name of 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene (CID 11914677) is 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene.
What is the SMILES notation for 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene?
The canonical SMILES for 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene is Cc1ccc([S@@](=O)/C(F)=C/c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene?
The InChIKey is YQBVNZLSAQHDQM-INJUALFYSA-N. The full InChI is InChI=1S/C21H17FOS/c1-16-7-13-20(14-8-16)24(23)21(22)15-17-9-11-19(12-10-17)18-5-3-2-4-6-18/h2-15H,1H3/b21-15+/t24-/m1/s1.
What are the key properties of 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene?
1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene has a molecular weight of 336.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene is sourced from PubChem (CID 11914677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).