2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane

C22H10F36O4 — CID 58017933

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane
SMILESCOCC(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)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C22H10F36O4/c1-5(23,24)18(49,50)61-19(51,52)16(45,46)17(47,48)20(53,54)62-22(57,58)21(55,56)60-4-7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)3-59-2/h3-4H2,1-2H3
InChIKeyCMJHBHHBDMZWCU-UHFFFAOYSA-N
MW1022.25 g/mol
LogP11.93
Rot. Bonds23

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane (PubChem CID 58017933) has the molecular formula C22H10F36O4 and a molecular weight of 1022.25 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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane
PubChem CID58017933
Molecular FormulaC22H10F36O4
Molecular Weight1022.25 g/mol
Exact Mass1022.00
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane
SMILESCOCC(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)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C22H10F36O4/c1-5(23,24)18(49,50)61-19(51,52)16(45,46)17(47,48)20(53,54)62-22(57,58)21(55,56)60-4-7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)3-59-2/h3-4H2,1-2H3
InChIKeyCMJHBHHBDMZWCU-UHFFFAOYSA-N
XLogP11.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.25
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane?
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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane (CID 58017933) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane.
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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane?
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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane is COCC(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)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F.
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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane?
The InChIKey is CMJHBHHBDMZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F36O4/c1-5(23,24)18(49,50)61-19(51,52)16(45,46)17(47,48)20(53,54)62-22(57,58)21(55,56)60-4-7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)3-59-2/h3-4H2,1-2H3.
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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane has a molecular weight of 1022.25 g/mol, XLogP of 11.93, 23 rotatable bonds, 0 hydrogen bond donors, and 4 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-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane is sourced from PubChem (CID 58017933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).