3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine

C109H96F16N10O7 — CID 157443783

About 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine

3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine (PubChem CID 157443783) has the molecular formula C109H96F16N10O7 and a molecular weight of 1962.00 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine
• PubChem CID: 157443783
• Molecular Formula: C109H96F16N10O7
• Molecular Weight: 1962.00 g/mol
• Exact Mass: 1960.72
• IUPAC Name: 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine
• SMILES: CC(C)Cc1ccc(N2COc3ccc(C(c4ccc5c(c4)CN(c4ccc(C(C)(C)C)cc4)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)cc1.FC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1ccc(N2COc3cc(F)c(F)cc3C2)cc1.Fc1ccc2c(c1)CN(c1ccccn1)CO2.c1ccc(N2COc3ncccc3C2)nc1
• InChI: InChI=1S/C39H40F6N2O2.C31H24F6N2O2.C14H10F3NO.C13H11FN2O.C12H11N3O/c1-25(2)18-26-6-12-32(13-7-26)46-21-27-19-30(10-16-34(27)48-23-46)37(38(40,41)42,39(43,44)45)31-11-17-35-28(20-31)22-47(24-49-35)33-14-8-29(9-15-33)36(3,4)5;32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;15-10-1-3-11(4-2-10)18-7-9-5-12(16)13(17)6-14(9)19-8-18;14-11-4-5-12-10(7-11)8-16(9-17-12)13-3-1-2-6-15-13;1-2-6-13-11(5-1)15-8-10-4-3-7-14-12(10)16-9-15/h6-17,19-20,25H,18,21-24H2,1-5H3;1-16H,17-20H2;1-6H,7-8H2;1-7H,8-9H2;1-7H,8-9H2
• InChIKey: BRZDWVVFQPYXGI-UHFFFAOYSA-N
• XLogP: 25.99
• TPSA: 125.96 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.00
LogP ≤ 5	25.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?

The IUPAC name of 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine (CID 157443783) is 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine.

What is the SMILES notation for 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?

The canonical SMILES for 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine is CC(C)Cc1ccc(N2COc3ccc(C(c4ccc5c(c4)CN(c4ccc(C(C)(C)C)cc4)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)cc1.FC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1ccc(N2COc3cc(F)c(F)cc3C2)cc1.Fc1ccc2c(c1)CN(c1ccccn1)CO2.c1ccc(N2COc3ncccc3C2)nc1.

What is the InChIKey of 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?

The InChIKey is BRZDWVVFQPYXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40F6N2O2.C31H24F6N2O2.C14H10F3NO.C13H11FN2O.C12H11N3O/c1-25(2)18-26-6-12-32(13-7-26)46-21-27-19-30(10-16-34(27)48-23-46)37(38(40,41)42,39(43,44)45)31-11-17-35-28(20-31)22-47(24-49-35)33-14-8-29(9-15-33)36(3,4)5;32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;15-10-1-3-11(4-2-10)18-7-9-5-12(16)13(17)6-14(9)19-8-18;14-11-4-5-12-10(7-11)8-16(9-17-12)13-3-1-2-6-15-13;1-2-6-13-11(5-1)15-8-10-4-3-7-14-12(10)16-9-15/h6-17,19-20,25H,18,21-24H2,1-5H3;1-16H,17-20H2;1-6H,7-8H2;1-7H,8-9H2;1-7H,8-9H2.

What are the key properties of 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine?

3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine has a molecular weight of 1962.00 g/mol, XLogP of 25.99, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-6-[1,1,1,3,3,3-hexafluoro-2-[3-[4-(2-methylpropyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine;6,7-difluoro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine is sourced from PubChem (CID 157443783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).