(1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

C23H19F3OS2 — CID 10048442

IUPAC(1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESO[C@H](CC=C(Sc1ccccc1)Sc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H19F3OS2/c24-23(25,26)18-13-11-17(12-14-18)21(27)15-16-22(28-19-7-3-1-4-8-19)29-20-9-5-2-6-10-20/h1-14,16,21,27H,15H2/t21-/m1/s1
InChIKeyISQJBVBTKNCMSL-OAQYLSRUSA-N
MW432.53 g/mol
LogP7.55
Rot. Bonds7

About (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

(1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 10048442) has the molecular formula C23H19F3OS2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID10048442
Molecular FormulaC23H19F3OS2
Molecular Weight432.53 g/mol
Exact Mass432.08
IUPAC Name(1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESO[C@H](CC=C(Sc1ccccc1)Sc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H19F3OS2/c24-23(25,26)18-13-11-17(12-14-18)21(27)15-16-22(28-19-7-3-1-4-8-19)29-20-9-5-2-6-10-20/h1-14,16,21,27H,15H2/t21-/m1/s1
InChIKeyISQJBVBTKNCMSL-OAQYLSRUSA-N
XLogP7.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(phenylsulfanyl)methyl]-4-(trifluoromethyl)benzene
CID 14604424
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60981157
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964
(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
CID 12653805
2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60981309
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10689220
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
(1S,3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-ol
CID 132560145
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246

Frequently Asked Questions

What is the IUPAC name of (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 10048442) is (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is O[C@H](CC=C(Sc1ccccc1)Sc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is ISQJBVBTKNCMSL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19F3OS2/c24-23(25,26)18-13-11-17(12-14-18)21(27)15-16-22(28-19-7-3-1-4-8-19)29-20-9-5-2-6-10-20/h1-14,16,21,27H,15H2/t21-/m1/s1.
What are the key properties of (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
(1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 432.53 g/mol, XLogP of 7.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 10048442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).