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

C28F58O — CID 139798167

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane (PubChem CID 139798167) has the molecular formula C28F58O and a molecular weight of 1454.19 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane
• PubChem CID: 139798167
• Molecular Formula: C28F58O
• Molecular Weight: 1454.19 g/mol
• Exact Mass: 1453.90
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(OC(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(C(F)(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)(F)F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C28F58O/c29-1(3(31,19(57,58)59)20(60,61)62,7(33,34)11(41,42)13(45,46)15(49,50)17(53,54)27(81,82)83)5(23(69,70)71,9(37,38)25(75,76)77)87-6(24(72,73)74,10(39,40)26(78,79)80)2(30,4(32,21(63,64)65)22(66,67)68)8(35,36)12(43,44)14(47,48)16(51,52)18(55,56)28(84,85)86
• InChIKey: GAMYLRVUSAFKAU-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1454.19
LogP ≤ 5	18.56
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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane?

The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane (CID 139798167) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane.

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

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

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

The InChIKey is GAMYLRVUSAFKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28F58O/c29-1(3(31,19(57,58)59)20(60,61)62,7(33,34)11(41,42)13(45,46)15(49,50)17(53,54)27(81,82)83)5(23(69,70)71,9(37,38)25(75,76)77)87-6(24(72,73)74,10(39,40)26(78,79)80)2(30,4(32,21(63,64)65)22(66,67)68)8(35,36)12(43,44)14(47,48)16(51,52)18(55,56)28(84,85)86.

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane has a molecular weight of 1454.19 g/mol, XLogP of 18.56, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,10,10,10-nonadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-[1,1,1,2,2,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)decan-3-yl]oxy-8-(trifluoromethyl)decane is sourced from PubChem (CID 139798167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).