1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane

C66H52BrCl3F15N7O6 — CID 158749253

About 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane

1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane (PubChem CID 158749253) has the molecular formula C66H52BrCl3F15N7O6 and a molecular weight of 1511.42 g/mol. Its IUPAC name is 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane.

Molecular Properties

• Compound Name: 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane
• PubChem CID: 158749253
• Molecular Formula: C66H52BrCl3F15N7O6
• Molecular Weight: 1511.42 g/mol
• Exact Mass: 1508.21
• IUPAC Name: 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane
• SMILES: C.C.Fc1cc(Cl)ccc1CBr.Fc1ccc(C2(C(F)(F)c3ccc(OCc4ccc(Cl)cc4F)cn3)CO2)c(F)c1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCc2ccc(Cl)cc2F)cn1.Oc1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1.[H][2H]
• InChI: InChI=1S/C22H15ClF5N5O2.C21H13ClF5NO2.C14H9F4NO2.C7H5BrClF.2CH4.H2/c23-14-2-1-13(18(25)7-14)10-35-16-4-6-20(29-9-16)22(27,28)21(34,11-33-12-30-31-32-33)17-5-3-15(24)8-19(17)26;22-13-2-1-12(17(24)7-13)10-29-15-4-6-19(28-9-15)21(26,27)20(11-30-20)16-5-3-14(23)8-18(16)25;15-8-1-3-10(11(16)5-8)13(7-21-13)14(17,18)12-4-2-9(20)6-19-12;8-4-5-1-2-6(9)3-7(5)10;;;/h1-9,12,34H,10-11H2;1-9H,10-11H2;1-6,20H,7H2;1-3H,4H2;2*1H4;1H/i;;;;;;1+1
• InChIKey: INGNGHRVWOLABI-KTTJZPQESA-N
• XLogP: 18.12
• TPSA: 166.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.42
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane?

The IUPAC name of 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane (CID 158749253) is 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane.

What is the SMILES notation for 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane?

The canonical SMILES for 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane is C.C.Fc1cc(Cl)ccc1CBr.Fc1ccc(C2(C(F)(F)c3ccc(OCc4ccc(Cl)cc4F)cn3)CO2)c(F)c1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCc2ccc(Cl)cc2F)cn1.Oc1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1.[H][2H].

What is the InChIKey of 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane?

The InChIKey is INGNGHRVWOLABI-KTTJZPQESA-N. The full InChI is InChI=1S/C22H15ClF5N5O2.C21H13ClF5NO2.C14H9F4NO2.C7H5BrClF.2CH4.H2/c23-14-2-1-13(18(25)7-14)10-35-16-4-6-20(29-9-16)22(27,28)21(34,11-33-12-30-31-32-33)17-5-3-15(24)8-19(17)26;22-13-2-1-12(17(24)7-13)10-29-15-4-6-19(28-9-15)21(26,27)20(11-30-20)16-5-3-14(23)8-18(16)25;15-8-1-3-10(11(16)5-8)13(7-21-13)14(17,18)12-4-2-9(20)6-19-12;8-4-5-1-2-6(9)3-7(5)10;;;/h1-9,12,34H,10-11H2;1-9H,10-11H2;1-6,20H,7H2;1-3H,4H2;2*1H4;1H/i;;;;;;1+1.

What are the key properties of 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane?

1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane has a molecular weight of 1511.42 g/mol, XLogP of 18.12, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-4-chloro-2-fluorobenzene;5-[(4-chloro-2-fluorophenyl)methoxy]-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;deuterium monohydride;6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridin-3-ol;methane is sourced from PubChem (CID 158749253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).