methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol

C64H72F72O9S2 — CID 162262312

About methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol

methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol (PubChem CID 162262312) has the molecular formula C64H72F72O9S2 and a molecular weight of 2417.26 g/mol. Its IUPAC name is methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol.

Molecular Properties

• Compound Name: methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol
• PubChem CID: 162262312
• Molecular Formula: C64H72F72O9S2
• Molecular Weight: 2417.26 g/mol
• Exact Mass: 2416.35
• IUPAC Name: methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol
• SMILES: C.CCCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.FC(F)(F)C(F)(CC(CCCS)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.OC(COCC(O)CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.OCC(CC(F)(C(F)(F)F)C(F)(F)F)OCC(O)CCC(F)(C(F)(F)F)C(F)(F)F.OCC(O)C(F)(F)F.OCCC(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.S
• InChI: InChI=1S/C13H14F14O3.C12H12F14O3.C12H12F14S.C12H13F13.C11H10F14O.C3H5F3O2.CH4.H2S/c14-8(10(16,17)18,11(19,20)21)2-1-6(29)5-30-7(4-28)3-9(15,12(22,23)24)13(25,26)27;13-7(9(15,16)17,10(18,19)20)1-5(27)3-29-4-6(28)2-8(14,11(21,22)23)12(24,25)26;13-7(9(15,16)17,10(18,19)20)4-6(2-1-3-27)5-8(14,11(21,22)23)12(24,25)26;1-2-3-6(9(14,15)16)4-7(10(17,18)19)5-8(13,11(20,21)22)12(23,24)25;12-6(8(14,15)16,9(17,18)19)3-5(1-2-26)4-7(13,10(20,21)22)11(23,24)25;4-3(5,6)2(8)1-7;;/h6-7,28-29H,1-5H2;5-6,27-28H,1-4H2;6,27H,1-5H2;6-7H,2-5H2,1H3;5,26H,1-4H2;2,7-8H,1H2;1H4;1H2
• InChIKey: ZZKNPLRQAMJYHE-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 160.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 37
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.26
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol?

The IUPAC name of methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol (CID 162262312) is methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol.

What is the SMILES notation for methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol?

The canonical SMILES for methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol is C.CCCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.FC(F)(F)C(F)(CC(CCCS)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.OC(COCC(O)CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.OCC(CC(F)(C(F)(F)F)C(F)(F)F)OCC(O)CCC(F)(C(F)(F)F)C(F)(F)F.OCC(O)C(F)(F)F.OCCC(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.S.

What is the InChIKey of methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol?

The InChIKey is ZZKNPLRQAMJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F14O3.C12H12F14O3.C12H12F14S.C12H13F13.C11H10F14O.C3H5F3O2.CH4.H2S/c14-8(10(16,17)18,11(19,20)21)2-1-6(29)5-30-7(4-28)3-9(15,12(22,23)24)13(25,26)27;13-7(9(15,16)17,10(18,19)20)1-5(27)3-29-4-6(28)2-8(14,11(21,22)23)12(24,25)26;13-7(9(15,16)17,10(18,19)20)4-6(2-1-3-27)5-8(14,11(21,22)23)12(24,25)26;1-2-3-6(9(14,15)16)4-7(10(17,18)19)5-8(13,11(20,21)22)12(23,24)25;12-6(8(14,15)16,9(17,18)19)3-5(1-2-26)4-7(13,10(20,21)22)11(23,24)25;4-3(5,6)2(8)1-7;;/h6-7,28-29H,1-5H2;5-6,27-28H,1-4H2;6,27H,1-5H2;6-7H,2-5H2,1H3;5,26H,1-4H2;2,7-8H,1H2;1H4;1H2.

What are the key properties of methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol?

methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol has a molecular weight of 2417.26 g/mol, XLogP of 28.33, 37 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methane;sulfane;5,6,6,6-tetrafluoro-1-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-5-(trifluoromethyl)hexan-2-ol;4,5,5,5-tetrafluoro-1-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentoxy]-4-(trifluoromethyl)pentan-2-ol;6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-thiol;5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexan-1-ol;1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)nonane;3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 162262312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).