1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane

C22H8F38O — CID 141408604

About 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane (PubChem CID 141408604) has the molecular formula C22H8F38O and a molecular weight of 1010.23 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane.

Molecular Properties

• Compound Name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane
• PubChem CID: 141408604
• Molecular Formula: C22H8F38O
• Molecular Weight: 1010.23 g/mol
• Exact Mass: 1010.00
• IUPAC Name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane
• SMILES: CC(OC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(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)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C22H8F38O/c1-3(5(23,24)9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)61-4(2)6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60/h3-4H,1-2H3
• InChIKey: DPIYJLGVKUGNKL-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.23
LogP ≤ 5	13.07
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 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane?

The IUPAC name of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane (CID 141408604) is 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane.

What is the SMILES notation for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane?

The canonical SMILES for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane is CC(OC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(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)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane?

The InChIKey is DPIYJLGVKUGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8F38O/c1-3(5(23,24)9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)61-4(2)6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60/h3-4H,1-2H3.

What are the key properties of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane?

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane has a molecular weight of 1010.23 g/mol, XLogP of 13.07, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane is sourced from PubChem (CID 141408604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).