8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane

C22H14Br2F30O — CID 22906175

About 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane

8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane (PubChem CID 22906175) has the molecular formula C22H14Br2F30O and a molecular weight of 1024.10 g/mol. Its IUPAC name is 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane.

Molecular Properties

• Compound Name: 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane
• PubChem CID: 22906175
• Molecular Formula: C22H14Br2F30O
• Molecular Weight: 1024.10 g/mol
• Exact Mass: 1021.89
• IUPAC Name: 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane
• SMILES: CC(C)C(Br)(OC(Br)(C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C22H14Br2F30O/c1-5(2)7(23,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)51)55-8(24,6(3)4)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(52,53)54/h5-6H,1-4H3
• InChIKey: UJIZOMGONSSBFH-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.10
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane?

The IUPAC name of 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane (CID 22906175) is 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane.

What is the SMILES notation for 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane?

The canonical SMILES for 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane is CC(C)C(Br)(OC(Br)(C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane?

The InChIKey is UJIZOMGONSSBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2F30O/c1-5(2)7(23,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)51)55-8(24,6(3)4)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(52,53)54/h5-6H,1-4H3.

What are the key properties of 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane?

8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane has a molecular weight of 1024.10 g/mol, XLogP of 13.25, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane is sourced from PubChem (CID 22906175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).