[1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene

C15H11F3S — CID 132521031

IUPAC[1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene
SMILESFC(F)(F)SC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11F3S/c16-15(17,18)19-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyJHPHHWWYUJRYBG-UHFFFAOYSA-N
MW280.31 g/mol
LogP5.33
Rot. Bonds3

About [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene

[1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene (PubChem CID 132521031) has the molecular formula C15H11F3S and a molecular weight of 280.31 g/mol. Its IUPAC name is [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene.

Molecular Properties

Compound Name[1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene
PubChem CID132521031
Molecular FormulaC15H11F3S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name[1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene
SMILESFC(F)(F)SC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11F3S/c16-15(17,18)19-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyJHPHHWWYUJRYBG-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.31
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-difluoro-1-phenylbut-1-enyl)benzene
CID 174901374
[2-(2,2-diphenylethenyldiselanyl)-1-phenylethenyl]benzene
CID 134932536
bromo(trifluoro)methane;3,3-diphenylprop-2-enenitrile
CID 174367597
(E)-2-fluoro-1-phenylethenolate
CID 135042724
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
[2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene
CID 66729830
3,3-diphenyl-2-(trifluoromethylsulfanyl)prop-2-enal
CID 138977572
(8-chloro-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-phenyloct-1-enyl)benzene
CID 100930798
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939
(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine
CID 11743387
N-(trifluoromethylsulfanyl)benzamide
CID 154450677
benzamide;trifluoro(methylsulfanyl)methane
CID 167473170

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene?
The IUPAC name of [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene (CID 132521031) is [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene.
What is the SMILES notation for [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene?
The canonical SMILES for [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene is FC(F)(F)SC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene?
The InChIKey is JHPHHWWYUJRYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3S/c16-15(17,18)19-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H.
What are the key properties of [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene?
[1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene has a molecular weight of 280.31 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene is sourced from PubChem (CID 132521031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).