1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol

C44H56F24O4S4 — CID 157286108

About 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol (PubChem CID 157286108) has the molecular formula C44H56F24O4S4 and a molecular weight of 1233.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol
• PubChem CID: 157286108
• Molecular Formula: C44H56F24O4S4
• Molecular Weight: 1233.15 g/mol
• Exact Mass: 1232.27
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol
• SMILES: OC(CC1CC2CC1C[C@@H]2S)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1C[C@H]2S)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1[C@@H](S)C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1[C@H](S)C2)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/4C11H14F6OS/c2*12-10(13,14)9(18,11(15,16)17)4-7-2-6-1-5(7)3-8(6)19;2*12-10(13,14)9(18,11(15,16)17)4-6-1-5-2-7(6)8(19)3-5/h4*5-8,18-19H,1-4H2/t4*5?,6?,7?,8-/m1010/s1
• InChIKey: BAGFKQCKQWWIKM-BFOWZJCBSA-N
• XLogP: 14.31
• TPSA: 80.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.15
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol (CID 157286108) is 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol is OC(CC1CC2CC1C[C@@H]2S)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1C[C@H]2S)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1[C@@H](S)C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1[C@H](S)C2)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol?

The InChIKey is BAGFKQCKQWWIKM-BFOWZJCBSA-N. The full InChI is InChI=1S/4C11H14F6OS/c2*12-10(13,14)9(18,11(15,16)17)4-7-2-6-1-5(7)3-8(6)19;2*12-10(13,14)9(18,11(15,16)17)4-6-1-5-2-7(6)8(19)3-5/h4*5-8,18-19H,1-4H2/t4*5?,6?,7?,8-/m1010/s1.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol?

1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol has a molecular weight of 1233.15 g/mol, XLogP of 14.31, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol is sourced from PubChem (CID 157286108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).