triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane

C25H19F3S — CID 175593185

IUPACtriphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane
SMILESFC(F)(F)c1ccccc1S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19F3S/c26-25(27,28)23-18-10-11-19-24(23)29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyRFNLTHKKSPKZPF-UHFFFAOYSA-N
MW408.49 g/mol
LogP8.05
Rot. Bonds4

About triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane

triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane (PubChem CID 175593185) has the molecular formula C25H19F3S and a molecular weight of 408.49 g/mol. Its IUPAC name is triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane
PubChem CID175593185
Molecular FormulaC25H19F3S
Molecular Weight408.49 g/mol
Exact Mass408.12
IUPAC Nametriphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane
SMILESFC(F)(F)c1ccccc1S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19F3S/c26-25(27,28)23-18-10-11-19-24(23)29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyRFNLTHKKSPKZPF-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(benzenesulfonyl)-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174560871
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
diphenylsulfanium;2-(trifluoromethyl)benzenesulfonate
CID 22593435
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate
CID 151842769
[2-(trifluoromethyl)phenyl]sulfonyloxymethyl 2-(trifluoromethyl)benzenesulfonate
CID 87942465
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
anthracene-9,10-dione;2-(trifluoromethyl)benzenesulfonic acid
CID 175120029
5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
CID 25189329
1,2-bis(benzenesulfonyl)-3-[2,3-bis(benzenesulfonyl)phenyl]sulfanylbenzene;bis(2-(trifluoromethyl)benzenesulfonic acid)
CID 22630658
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828701

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane?
The IUPAC name of triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane (CID 175593185) is triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane?
The canonical SMILES for triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane is FC(F)(F)c1ccccc1S(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane?
The InChIKey is RFNLTHKKSPKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3S/c26-25(27,28)23-18-10-11-19-24(23)29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H.
What are the key properties of triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane?
triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane has a molecular weight of 408.49 g/mol, XLogP of 8.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-(trifluoromethyl)phenyl]-λ4-sulfane is sourced from PubChem (CID 175593185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).