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

C24F50O — CID 139798163

IUPAC1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane
SMILESFC(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)C(F)(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)C(F)(F)F
InChIInChI=1S/C24F50O/c25-3(26,9(37,38)13(45,46)17(53,54)23(69,70)71)1(7(33,34)19(57,58)59,5(29,30)11(41,42)15(49,50)21(63,64)65)75-2(8(35,36)20(60,61)62,6(31,32)12(43,44)16(51,52)22(66,67)68)4(27,28)10(39,40)14(47,48)18(55,56)24(72,73)74
InChIKeyDVGRCUMEMBRVLD-UHFFFAOYSA-N
MW1254.16 g/mol
LogP16.02
Rot. Bonds18

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

1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane (PubChem CID 139798163) has the molecular formula C24F50O and a molecular weight of 1254.16 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane
PubChem CID139798163
Molecular FormulaC24F50O
Molecular Weight1254.16 g/mol
Exact Mass1253.92
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane
SMILESFC(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)C(F)(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)C(F)(F)F
InChIInChI=1S/C24F50O/c25-3(26,9(37,38)13(45,46)17(53,54)23(69,70)71)1(7(33,34)19(57,58)59,5(29,30)11(41,42)15(49,50)21(63,64)65)75-2(8(35,36)20(60,61)62,6(31,32)12(43,44)16(51,52)22(66,67)68)4(27,28)10(39,40)14(47,48)18(55,56)24(72,73)74
InChIKeyDVGRCUMEMBRVLD-UHFFFAOYSA-N
XLogP16.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001254.16
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane (CID 139798163) is 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane is FC(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)C(F)(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)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane?
The InChIKey is DVGRCUMEMBRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F50O/c25-3(26,9(37,38)13(45,46)17(53,54)23(69,70)71)1(7(33,34)19(57,58)59,5(29,30)11(41,42)15(49,50)21(63,64)65)75-2(8(35,36)20(60,61)62,6(31,32)12(43,44)16(51,52)22(66,67)68)4(27,28)10(39,40)14(47,48)18(55,56)24(72,73)74.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane?
1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane 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 1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-icosafluoro-6-[1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(1,1,2,2,2-pentafluoroethyl)decan-5-yl]oxy-6-(1,1,2,2,2-pentafluoroethyl)decane is sourced from PubChem (CID 139798163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).