1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene

C15H12F2S — CID 54419898

IUPAC1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESCSc1ccc(C=Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2S/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3
InChIKeyWABHZDIPKMSQMN-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.86
Rot. Bonds3

About 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene

1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene (PubChem CID 54419898) has the molecular formula C15H12F2S and a molecular weight of 262.32 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene
PubChem CID54419898
Molecular FormulaC15H12F2S
Molecular Weight262.32 g/mol
Exact Mass262.06
IUPAC Name1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESCSc1ccc(C=Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2S/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3
InChIKeyWABHZDIPKMSQMN-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline
CID 72575215
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
CID 145489574
CID 145489574
1-iodo-3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 89046674
3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol
CID 143844914
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543273
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538
(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride
CID 55280423
2,5-dimethyl-3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1H-pyrrole
CID 139626432
4-(4-methylsulfanylphenyl)but-3-en-2-one
CID 54442603
1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene
CID 102110854

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene?
The IUPAC name of 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene (CID 54419898) is 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene is CSc1ccc(C=Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene?
The InChIKey is WABHZDIPKMSQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2S/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3.
What are the key properties of 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene?
1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene has a molecular weight of 262.32 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene is sourced from PubChem (CID 54419898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).