3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane

C24F50O — CID 139798165

About 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane

3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane (PubChem CID 139798165) has the molecular formula C24F50O and a molecular weight of 1254.16 g/mol. Its IUPAC name is 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane.

Molecular Properties

• Compound Name: 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane
• PubChem CID: 139798165
• Molecular Formula: C24F50O
• Molecular Weight: 1254.16 g/mol
• Exact Mass: 1253.92
• IUPAC Name: 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(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)C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C24F50O/c25-3(26,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)23(69,70)71)1(19(57,58)59,5(29,30)21(63,64)65)75-2(20(60,61)62,6(31,32)22(66,67)68)4(27,28)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)24(72,73)74
• InChIKey: YWJPFEMEHUAWCP-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1254.16
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane?

The IUPAC name of 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane (CID 139798165) is 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane.

What is the SMILES notation for 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane?

The canonical SMILES for 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(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)C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F.

What is the InChIKey of 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane?

The InChIKey is YWJPFEMEHUAWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F50O/c25-3(26,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)23(69,70)71)1(19(57,58)59,5(29,30)21(63,64)65)75-2(20(60,61)62,6(31,32)22(66,67)68)4(27,28)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)24(72,73)74.

What are the key properties of 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane?

3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane has a molecular weight of 1254.16 g/mol, XLogP of 16.02, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(trifluoromethyl)undecane is sourced from PubChem (CID 139798165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).