1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide

C110H104BrF30N5O15S4 — CID 162155937

About 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide

1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide (PubChem CID 162155937) has the molecular formula C110H104BrF30N5O15S4 and a molecular weight of 2514.17 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
• PubChem CID: 162155937
• Molecular Formula: C110H104BrF30N5O15S4
• Molecular Weight: 2514.17 g/mol
• Exact Mass: 2511.51
• IUPAC Name: 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@](N)=O.COc1cc(C#N)ccc1F.COc1cc(C(=N[S@](=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.COc1cc(C(=O)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.COc1cc([C@@](Cc2ccccc2)(N[S@](=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.COc1cc([C@](Cc2ccccc2)(N[S@](=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.Fc1cc(Br)cc(OC(F)(F)C(F)F)c1
• InChI: InChI=1S/2C27H27F6NO3S.C20H19F6NO3S.C16H10F6O3.C8H4BrF5O.C8H6FNO.C4H11NOS/c2*1-25(2,3)38(35)34-26(16-17-8-6-5-7-9-17,18-10-11-22(29)23(14-18)36-4)19-12-20(28)15-21(13-19)37-27(32,33)24(30)31;1-19(2,3)31(28)27-17(11-5-6-15(22)16(9-11)29-4)12-7-13(21)10-14(8-12)30-20(25,26)18(23)24;1-24-13-6-8(2-3-12(13)18)14(23)9-4-10(17)7-11(5-9)25-16(21,22)15(19)20;9-4-1-5(10)3-6(2-4)15-8(13,14)7(11)12;1-11-8-4-6(5-10)2-3-7(8)9;1-4(2,3)7(5)6/h2*5-15,24,34H,16H2,1-4H3;5-10,18H,1-4H3;2-7,15H,1H3;1-3,7H;2-4H,1H3;5H2,1-3H3/t26-,38+;26-,38-;31-;;;;7-/m011...1/s1
• InChIKey: ZLUZNBNTHUAQME-GMAMOMIQSA-N
• XLogP: 29.39
• TPSA: 263.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2514.17
LogP ≤ 5	29.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?

The IUPAC name of 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide (CID 162155937) is 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide.

What is the SMILES notation for 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?

The canonical SMILES for 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](N)=O.COc1cc(C#N)ccc1F.COc1cc(C(=N[S@](=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.COc1cc(C(=O)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.COc1cc([C@@](Cc2ccccc2)(N[S@](=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.COc1cc([C@](Cc2ccccc2)(N[S@](=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.Fc1cc(Br)cc(OC(F)(F)C(F)F)c1.

What is the InChIKey of 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?

The InChIKey is ZLUZNBNTHUAQME-GMAMOMIQSA-N. The full InChI is InChI=1S/2C27H27F6NO3S.C20H19F6NO3S.C16H10F6O3.C8H4BrF5O.C8H6FNO.C4H11NOS/c2*1-25(2,3)38(35)34-26(16-17-8-6-5-7-9-17,18-10-11-22(29)23(14-18)36-4)19-12-20(28)15-21(13-19)37-27(32,33)24(30)31;1-19(2,3)31(28)27-17(11-5-6-15(22)16(9-11)29-4)12-7-13(21)10-14(8-12)30-20(25,26)18(23)24;1-24-13-6-8(2-3-12(13)18)14(23)9-4-10(17)7-11(5-9)25-16(21,22)15(19)20;9-4-1-5(10)3-6(2-4)15-8(13,14)7(11)12;1-11-8-4-6(5-10)2-3-7(8)9;1-4(2,3)7(5)6/h2*5-15,24,34H,16H2,1-4H3;5-10,18H,1-4H3;2-7,15H,1H3;1-3,7H;2-4H,1H3;5H2,1-3H3/t26-,38+;26-,38-;31-;;;;7-/m011...1/s1.

What are the key properties of 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?

1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide has a molecular weight of 2514.17 g/mol, XLogP of 29.39, 37 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-methoxybenzonitrile;(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;(R)-N-[(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162155937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).