1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride

C56H44F18O4S2 — CID 158293714

About 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride

1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride (PubChem CID 158293714) has the molecular formula C56H44F18O4S2 and a molecular weight of 1187.06 g/mol. Its IUPAC name is 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride.

Molecular Properties

• Compound Name: 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride
• PubChem CID: 158293714
• Molecular Formula: C56H44F18O4S2
• Molecular Weight: 1187.06 g/mol
• Exact Mass: 1186.24
• IUPAC Name: 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride
• SMILES: COc1ccc(C(c2ccc(Oc3ccc(Sc4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.F.F.F.F.Fc1ccc(Sc2ccc(F)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C29H22F6O2S.C15H10F6O2.C12H8F2S.4FH/c1-19-3-15-25(16-4-19)38-26-17-13-24(14-18-26)37-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(36-2)10-6-20;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;;;/h3-18H,1-2H3;1-8,22-23H;1-8H;4*1H
• InChIKey: GLQVERSVOGDJII-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.06
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride?

The IUPAC name of 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride (CID 158293714) is 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride.

What is the SMILES notation for 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride?

The canonical SMILES for 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride is COc1ccc(C(c2ccc(Oc3ccc(Sc4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.F.F.F.F.Fc1ccc(Sc2ccc(F)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.

What is the InChIKey of 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride?

The InChIKey is GLQVERSVOGDJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2S.C15H10F6O2.C12H8F2S.4FH/c1-19-3-15-25(16-4-19)38-26-17-13-24(14-18-26)37-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(36-2)10-6-20;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;;;/h3-18H,1-2H3;1-8,22-23H;1-8H;4*1H.

What are the key properties of 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride?

1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride has a molecular weight of 1187.06 g/mol, XLogP of 18.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-4-(4-fluorophenyl)sulfanylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene;tetrahydrofluoride is sourced from PubChem (CID 158293714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).