1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene

C26H20F2S2 — CID 146161871

IUPAC1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene
SMILESFc1ccc(S[C@H](c2ccccc2)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H20F2S2/c27-21-11-15-23(16-12-21)29-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)30-24-17-13-22(28)14-18-24/h1-18,25-26H/t25-,26-/m1/s1
InChIKeyGNNVMSZOUBBGSA-CLJLJLNGSA-N
MW434.58 g/mol
LogP8.33
Rot. Bonds7

About 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene

1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene (PubChem CID 146161871) has the molecular formula C26H20F2S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene
PubChem CID146161871
Molecular FormulaC26H20F2S2
Molecular Weight434.58 g/mol
Exact Mass434.10
IUPAC Name1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene
SMILESFc1ccc(S[C@H](c2ccccc2)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H20F2S2/c27-21-11-15-23(16-12-21)29-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)30-24-17-13-22(28)14-18-24/h1-18,25-26H/t25-,26-/m1/s1
InChIKeyGNNVMSZOUBBGSA-CLJLJLNGSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Alpha,alpha-bis(phenylthio)toluene
CID 608010
Sulfide, benzyl trityl
CID 245019
p-Bis((phenylthio)methyl)benzene
CID 611565
1-Methyl-2-tritylsulfanylbenzene
CID 408597
((((Benzylthio)(diphenyl)methyl)thio)methyl)benzene
CID 245020
Benzene, 1,1'-[(1-phenylethylidene)bis(thio)]bis-
CID 4296225
4-Fluorobenzyl phenyl sulfide
CID 2737284
1,1'-[(Benzenesulfinyl)methylene]dibenzene
CID 225269
Bithioxanthene
CID 225988
(4-Cyclohexylphenyl)diphenylsulfonium
CID 21863739
1-Fluoro-4-[(phenylmethyl)thio]benzene
CID 12261863
Dibenzhydryl disulfide
CID 12659002

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene?
The IUPAC name of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene (CID 146161871) is 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene.
What is the SMILES notation for 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene?
The canonical SMILES for 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene is Fc1ccc(S[C@H](c2ccccc2)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene?
The InChIKey is GNNVMSZOUBBGSA-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H20F2S2/c27-21-11-15-23(16-12-21)29-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)30-24-17-13-22(28)14-18-24/h1-18,25-26H/t25-,26-/m1/s1.
What are the key properties of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene?
1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene has a molecular weight of 434.58 g/mol, XLogP of 8.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethyl]sulfanylbenzene is sourced from PubChem (CID 146161871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).