2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

C50H57BrF4N8O6 — CID 162079052

About 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 162079052) has the molecular formula C50H57BrF4N8O6 and a molecular weight of 1021.95 g/mol. Its IUPAC name is 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 162079052
• Molecular Formula: C50H57BrF4N8O6
• Molecular Weight: 1021.95 g/mol
• Exact Mass: 1020.35
• IUPAC Name: 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cnccc43)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(n3c(=O)n(CC(F)F)c4cnccc43)CC2)[C@H]1c1ccccc1.FC(F)CBr
• InChI: InChI=1S/C25H28F2N4O3.C23H26N4O3.C2H3BrF2/c1-25(2)22(16-6-4-3-5-7-16)31(24(33)34-25)18-10-8-17(9-11-18)30-19-12-13-28-14-20(19)29(23(30)32)15-21(26)27;1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-12-13-24-14-18(19)25-21(26)28;3-1-2(4)5/h3-7,12-14,17-18,21-22H,8-11,15H2,1-2H3;3-7,12-14,16-17,20H,8-11H2,1-2H3,(H,25,28);2H,1H2/t17?,18?,22-;16?,17?,20-;/m00./s1
• InChIKey: ZCBZRRPCASNEIT-MSFHHZLRSA-N
• XLogP: 10.75
• TPSA: 149.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.95
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 162079052) is 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cnccc43)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(n3c(=O)n(CC(F)F)c4cnccc43)CC2)[C@H]1c1ccccc1.FC(F)CBr.

What is the InChIKey of 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is ZCBZRRPCASNEIT-MSFHHZLRSA-N. The full InChI is InChI=1S/C25H28F2N4O3.C23H26N4O3.C2H3BrF2/c1-25(2)22(16-6-4-3-5-7-16)31(24(33)34-25)18-10-8-17(9-11-18)30-19-12-13-28-14-20(19)29(23(30)32)15-21(26)27;1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-12-13-24-14-18(19)25-21(26)28;3-1-2(4)5/h3-7,12-14,17-18,21-22H,8-11,15H2,1-2H3;3-7,12-14,16-17,20H,8-11H2,1-2H3,(H,25,28);2H,1H2/t17?,18?,22-;16?,17?,20-;/m00./s1.

What are the key properties of 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?

2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 1021.95 g/mol, XLogP of 10.75, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,1-difluoroethane;(4S)-3-[4-[3-(2,2-difluoroethyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 162079052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).