2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol

C32H12F54O6 — CID 59628170

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C32H12F54O6/c33-5(11(43,44)89-3-9(39,40)15(51,52)19(59,60)23(67,68)27(75,76)25(71,72)21(63,64)17(55,56)13(47,48)7(35,36)1-87)91-31(83,84)29(79,80)30(81,82)32(85,86)92-6(34)12(45,46)90-4-10(41,42)16(53,54)20(61,62)24(69,70)28(77,78)26(73,74)22(65,66)18(57,58)14(49,50)8(37,38)2-88/h5-6,87-88H,1-4H2
InChIKeySHFLAHDCOYKLNV-UHFFFAOYSA-N
MW1518.33 g/mol
LogP15.98
Rot. Bonds35

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol (PubChem CID 59628170) has the molecular formula C32H12F54O6 and a molecular weight of 1518.33 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol
PubChem CID59628170
Molecular FormulaC32H12F54O6
Molecular Weight1518.33 g/mol
Exact Mass1517.98
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C32H12F54O6/c33-5(11(43,44)89-3-9(39,40)15(51,52)19(59,60)23(67,68)27(75,76)25(71,72)21(63,64)17(55,56)13(47,48)7(35,36)1-87)91-31(83,84)29(79,80)30(81,82)32(85,86)92-6(34)12(45,46)90-4-10(41,42)16(53,54)20(61,62)24(69,70)28(77,78)26(73,74)22(65,66)18(57,58)14(49,50)8(37,38)2-88/h5-6,87-88H,1-4H2
InChIKeySHFLAHDCOYKLNV-UHFFFAOYSA-N
XLogP15.98
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001518.33
LogP ≤ 515.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol (CID 59628170) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol is OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol?
The InChIKey is SHFLAHDCOYKLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12F54O6/c33-5(11(43,44)89-3-9(39,40)15(51,52)19(59,60)23(67,68)27(75,76)25(71,72)21(63,64)17(55,56)13(47,48)7(35,36)1-87)91-31(83,84)29(79,80)30(81,82)32(85,86)92-6(34)12(45,46)90-4-10(41,42)16(53,54)20(61,62)24(69,70)28(77,78)26(73,74)22(65,66)18(57,58)14(49,50)8(37,38)2-88/h5-6,87-88H,1-4H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol has a molecular weight of 1518.33 g/mol, XLogP of 15.98, 35 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol is sourced from PubChem (CID 59628170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).