1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane

C104H121F42N5O20S14+2 — CID 157374047

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane (PubChem CID 157374047) has the molecular formula C104H121F42N5O20S14+2 and a molecular weight of 3007.98 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane.

Molecular Properties

• Compound Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane
• PubChem CID: 157374047
• Molecular Formula: C104H121F42N5O20S14+2
• Molecular Weight: 3007.98 g/mol
• Exact Mass: 3005.40
• IUPAC Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane
• SMILES: CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(C)(F)F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cn1cc([S+]2CCCC2)c2ccccc21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
• InChI: InChI=1S/C19H26F8O2.C18H23OS.C17H28F8O.C13H16NS.4C6H6S.C4F8NO4S2.3C3F6NO4S2/c1-15(20,21)18(24,25)29-19(26,27)17(22,23)3-2-4-28-11-16-8-12-5-13(9-16)7-14(6-12)10-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-3-4-5-6-7-8-9-10-11-12-13-15(20,21)17(24,25)26-16(22,23)14(2,18)19;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;4*7-6-4-2-1-3-5-6;5-1(6)2(7,8)4(11,12)19(16,17)13-18(14,15)3(1,9)10;3*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h12-14H,2-11H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;3-13H2,1-2H3;2-3,6-7,10H,4-5,8-9H2,1H3;4*1-5,7H;;;;/q;+1;;+1;;;;;4*-1/p+4
• InChIKey: BKCMKIDHHYZAMA-UHFFFAOYSA-R
• XLogP: 30.30
• TPSA: 371.37 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3007.98
LogP ≤ 5	30.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane?

The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane (CID 157374047) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane.

What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane?

The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane is CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(C)(F)F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cn1cc([S+]2CCCC2)c2ccccc21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.

What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane?

The InChIKey is BKCMKIDHHYZAMA-UHFFFAOYSA-R. The full InChI is InChI=1S/C19H26F8O2.C18H23OS.C17H28F8O.C13H16NS.4C6H6S.C4F8NO4S2.3C3F6NO4S2/c1-15(20,21)18(24,25)29-19(26,27)17(22,23)3-2-4-28-11-16-8-12-5-13(9-16)7-14(6-12)10-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-3-4-5-6-7-8-9-10-11-12-13-15(20,21)17(24,25)26-16(22,23)14(2,18)19;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;4*7-6-4-2-1-3-5-6;5-1(6)2(7,8)4(11,12)19(16,17)13-18(14,15)3(1,9)10;3*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h12-14H,2-11H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;3-13H2,1-2H3;2-3,6-7,10H,4-5,8-9H2,1H3;4*1-5,7H;;;;/q;+1;;+1;;;;;4*-1/p+4.

What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane?

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane has a molecular weight of 3007.98 g/mol, XLogP of 30.30, 31 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1λ6,3λ6-dithia-2-azanidacycloheptane 1,1,3,3-tetraoxide;phenylsulfanium;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane is sourced from PubChem (CID 157374047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).