2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C96H100F21N16O13P3 — CID 159631010

About 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 159631010) has the molecular formula C96H100F21N16O13P3 and a molecular weight of 2177.83 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
• PubChem CID: 159631010
• Molecular Formula: C96H100F21N16O13P3
• Molecular Weight: 2177.83 g/mol
• Exact Mass: 2176.65
• IUPAC Name: 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
• SMILES: C.C.C.CC(C)N(C(C)C)P(C)OCc1ccccc1.CCO.CP(=O)(OCc1ccccc1)OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1.O=P(O)(O)OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1
• InChI: InChI=1S/C31H25F7N5O4P.C23H17F7N5O5P.C23H16F7N5O2.C14H24NOP.C2H6O.3CH4/c1-48(44,46-17-21-5-3-2-4-6-21)47-29(18-43-20-40-41-42-43,26-13-10-24(32)15-27(26)33)31(37,38)28-14-9-23(16-39-28)22-7-11-25(12-8-22)45-19-30(34,35)36;24-16-4-7-18(19(25)9-16)21(40-41(36,37)38,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)39-12-22(26,27)28;24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28;1-12(2)15(13(3)4)17(5)16-11-14-9-7-6-8-10-14;1-2-3;;;/h2-16,20H,17-19H2,1H3;1-10,13H,11-12H2,(H2,36,37,38);1-10,13,36H,11-12H2;6-10,12-13H,11H2,1-5H3;3H,2H2,1H3;3*1H4
• InChIKey: MPCWZEUESUAUFF-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 352.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 37
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.83
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?

The IUPAC name of 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 159631010) is 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?

The canonical SMILES for 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is C.C.C.CC(C)N(C(C)C)P(C)OCc1ccccc1.CCO.CP(=O)(OCc1ccccc1)OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1.O=P(O)(O)OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1.

What is the InChIKey of 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?

The InChIKey is MPCWZEUESUAUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F7N5O4P.C23H17F7N5O5P.C23H16F7N5O2.C14H24NOP.C2H6O.3CH4/c1-48(44,46-17-21-5-3-2-4-6-21)47-29(18-43-20-40-41-42-43,26-13-10-24(32)15-27(26)33)31(37,38)28-14-9-23(16-39-28)22-7-11-25(12-8-22)45-19-30(34,35)36;24-16-4-7-18(19(25)9-16)21(40-41(36,37)38,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)39-12-22(26,27)28;24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28;1-12(2)15(13(3)4)17(5)16-11-14-9-7-6-8-10-14;1-2-3;;;/h2-16,20H,17-19H2,1H3;1-10,13H,11-12H2,(H2,36,37,38);1-10,13,36H,11-12H2;6-10,12-13H,11H2,1-5H3;3H,2H2,1H3;3*1H4.

What are the key properties of 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?

2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 2177.83 g/mol, XLogP of 23.25, 37 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,4-difluorophenyl)-1,1-difluoro-2-[methyl(phenylmethoxy)phosphoryl]oxy-3-(tetrazol-1-yl)propyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine;2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;[2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] dihydrogen phosphate;ethanol;methane;N-[methyl(phenylmethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 159631010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).