1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene

C15H11F3OS — CID 138975188

IUPAC1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene
SMILESC=C(c1ccc(C(F)(F)F)cc1)S(=O)c1ccccc1
InChIInChI=1S/C15H11F3OS/c1-11(20(19)14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-10H,1H2
InChIKeyOSYCWOATEKRJLF-UHFFFAOYSA-N
MW296.31 g/mol
LogP4.48
Rot. Bonds3

About 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene

1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene (PubChem CID 138975188) has the molecular formula C15H11F3OS and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene
PubChem CID138975188
Molecular FormulaC15H11F3OS
Molecular Weight296.31 g/mol
Exact Mass296.05
IUPAC Name1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene
SMILESC=C(c1ccc(C(F)(F)F)cc1)S(=O)c1ccccc1
InChIInChI=1S/C15H11F3OS/c1-11(20(19)14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-10H,1H2
InChIKeyOSYCWOATEKRJLF-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
CID 101352816
CID 101352816
CID 161391832
CID 161391832
1-(benzenesulfinyl)ethenylsulfinylbenzene
CID 19348887
4-[3-methyl-2-[4-(trifluoromethyl)phenyl]but-3-en-2-yl]benzoic acid
CID 134080745
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896
1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene
CID 102320768
4-[2-(4-carboxyphenyl)-1,1,2,2-tetrafluoroethyl]benzoic acid
CID 86052762
(triphenyl-λ4-sulfanyl) 4-(trifluoromethyl)benzenesulfinate
CID 69427157
hydrazine;sulfuric acid;trifluoromethylbenzene
CID 174887305
CID 175394574
CID 175394574
diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;trifluoromethanesulfonate
CID 18759328

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene (CID 138975188) is 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene is C=C(c1ccc(C(F)(F)F)cc1)S(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene?
The InChIKey is OSYCWOATEKRJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3OS/c1-11(20(19)14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-10H,1H2.
What are the key properties of 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene?
1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene has a molecular weight of 296.31 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 138975188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).