1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene

C13H9F3OS — CID 86318903

IUPAC1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene
SMILESO=[S@@](c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H/t18-/m0/s1
InChIKeyCLDLXLKMMYJIEK-SFHVURJKSA-N
MW270.28 g/mol
LogP3.98
Rot. Bonds2

About 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene

1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene (PubChem CID 86318903) has the molecular formula C13H9F3OS and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene.

Molecular Properties

Compound Name1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene
PubChem CID86318903
Molecular FormulaC13H9F3OS
Molecular Weight270.28 g/mol
Exact Mass270.03
IUPAC Name1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene
SMILESO=[S@@](c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H/t18-/m0/s1
InChIKeyCLDLXLKMMYJIEK-SFHVURJKSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;trifluoromethylsulfinylbenzene
CID 142140628
1-(4-phenylsulfanylphenyl)-2-[2-(4-phenylsulfanylphenyl)phenyl]sulfinylbenzene
CID 68579952
2-phenyl-4-(trifluoromethyl)benzenesulfinic acid
CID 174890866
sodium;hydride;5-phenylnaphthalene-1-sulfinic acid
CID 173440733
1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene
CID 139366997
2-[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfinate
CID 175182291
2-(oxiran-2-yl)-3-phenylbenzenesulfinic acid
CID 174414424
1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene
CID 15655347
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
2-(4-carboxyphenyl)benzenesulfinate;2-methylpropan-2-amine
CID 160558326
3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
2,2,2-trifluoro-1-phenylethanesulfinic acid
CID 18758760

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene?
The IUPAC name of 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene (CID 86318903) is 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene.
What is the SMILES notation for 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene?
The canonical SMILES for 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene is O=[S@@](c1ccccc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene?
The InChIKey is CLDLXLKMMYJIEK-SFHVURJKSA-N. The full InChI is InChI=1S/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H/t18-/m0/s1.
What are the key properties of 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene?
1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene has a molecular weight of 270.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene is sourced from PubChem (CID 86318903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).