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

C26F54O — CID 139798166

IUPAC4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane
SMILESFC(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)C(F)(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)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26F54O/c27-3(28,9(39,40)11(43,44)13(47,48)15(51,52)19(59,60)25(75,76)77)1(7(35,36)21(63,64)65,5(31,32)17(55,56)23(69,70)71)81-2(8(37,38)22(66,67)68,6(33,34)18(57,58)24(72,73)74)4(29,30)10(41,42)12(45,46)14(49,50)16(53,54)20(61,62)26(78,79)80
InChIKeyWARBAEMNNSBDFP-UHFFFAOYSA-N
MW1354.18 g/mol
LogP17.29
Rot. Bonds20

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

4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane (PubChem CID 139798166) has the molecular formula C26F54O and a molecular weight of 1354.18 g/mol. Its IUPAC name is 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane.

Molecular Properties

Compound Name4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane
PubChem CID139798166
Molecular FormulaC26F54O
Molecular Weight1354.18 g/mol
Exact Mass1353.91
IUPAC Name4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane
SMILESFC(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)C(F)(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)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26F54O/c27-3(28,9(39,40)11(43,44)13(47,48)15(51,52)19(59,60)25(75,76)77)1(7(35,36)21(63,64)65,5(31,32)17(55,56)23(69,70)71)81-2(8(37,38)22(66,67)68,6(33,34)18(57,58)24(72,73)74)4(29,30)10(41,42)12(45,46)14(49,50)16(53,54)20(61,62)26(78,79)80
InChIKeyWARBAEMNNSBDFP-UHFFFAOYSA-N
XLogP17.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001354.18
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane?
The IUPAC name of 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane (CID 139798166) is 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane.
What is the SMILES notation for 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane?
The canonical SMILES for 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane is FC(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)C(F)(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)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane?
The InChIKey is WARBAEMNNSBDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26F54O/c27-3(28,9(39,40)11(43,44)13(47,48)15(51,52)19(59,60)25(75,76)77)1(7(35,36)21(63,64)65,5(31,32)17(55,56)23(69,70)71)81-2(8(37,38)22(66,67)68,6(33,34)18(57,58)24(72,73)74)4(29,30)10(41,42)12(45,46)14(49,50)16(53,54)20(61,62)26(78,79)80.
What are the key properties of 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane?
4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane has a molecular weight of 1354.18 g/mol, XLogP of 17.29, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecan-4-yl]oxy-1,1,1,2,2,3,3,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-4-(1,1,2,2,2-pentafluoroethyl)undecane is sourced from PubChem (CID 139798166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).