1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane

C18F38O — CID 88671944

About 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane

1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane (PubChem CID 88671944) has the molecular formula C18F38O and a molecular weight of 954.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane
• PubChem CID: 88671944
• Molecular Formula: C18F38O
• Molecular Weight: 954.12 g/mol
• Exact Mass: 953.93
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C18F38O/c19-1(13(39,40)41,14(42,43)44)11(37,7(29,30)3(21,22)5(25,26)9(33,34)17(51,52)53)57-12(38,2(20,15(45,46)47)16(48,49)50)8(31,32)4(23,24)6(27,28)10(35,36)18(54,55)56
• InChIKey: BULHYMFVPHNTAG-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.12
LogP ≤ 5	12.21
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 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane?

The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane (CID 88671944) is 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane.

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

The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.

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

The InChIKey is BULHYMFVPHNTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F38O/c19-1(13(39,40)41,14(42,43)44)11(37,7(29,30)3(21,22)5(25,26)9(33,34)17(51,52)53)57-12(38,2(20,15(45,46)47)16(48,49)50)8(31,32)4(23,24)6(27,28)10(35,36)18(54,55)56.

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

1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane has a molecular weight of 954.12 g/mol, XLogP of 12.21, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluoro-6-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-2-(trifluoromethyl)octan-3-yl]oxy-7-(trifluoromethyl)octane is sourced from PubChem (CID 88671944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).