12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane

C30H18F44O2 — CID 13267956

IUPAC12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane
SMILESFC(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)C(F)(F)COCCCCCCOCC(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)C(F)F
InChIInChI=1S/C30H18F44O2/c31-9(32)13(39,40)17(47,48)21(55,56)25(63,64)29(71,72)27(67,68)23(59,60)19(51,52)15(43,44)11(35,36)7-75-5-3-1-2-4-6-76-8-12(37,38)16(45,46)20(53,54)24(61,62)28(69,70)30(73,74)26(65,66)22(57,58)18(49,50)14(41,42)10(33)34/h9-10H,1-8H2
InChIKeyQVOKPNOMLMIWCO-UHFFFAOYSA-N
MW1246.38 g/mol
LogP15.82
Rot. Bonds31

About 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane

12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane (PubChem CID 13267956) has the molecular formula C30H18F44O2 and a molecular weight of 1246.38 g/mol. Its IUPAC name is 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane.

Molecular Properties

Compound Name12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane
PubChem CID13267956
Molecular FormulaC30H18F44O2
Molecular Weight1246.38 g/mol
Exact Mass1246.06
IUPAC Name12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane
SMILESFC(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)C(F)(F)COCCCCCCOCC(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)C(F)F
InChIInChI=1S/C30H18F44O2/c31-9(32)13(39,40)17(47,48)21(55,56)25(63,64)29(71,72)27(67,68)23(59,60)19(51,52)15(43,44)11(35,36)7-75-5-3-1-2-4-6-76-8-12(37,38)16(45,46)20(53,54)24(61,62)28(69,70)30(73,74)26(65,66)22(57,58)18(49,50)14(41,42)10(33)34/h9-10H,1-8H2
InChIKeyQVOKPNOMLMIWCO-UHFFFAOYSA-N
XLogP15.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.38
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane 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 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane?
The IUPAC name of 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane (CID 13267956) is 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane.
What is the SMILES notation for 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane?
The canonical SMILES for 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane is FC(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)C(F)(F)COCCCCCCOCC(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)C(F)F.
What is the InChIKey of 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane?
The InChIKey is QVOKPNOMLMIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F44O2/c31-9(32)13(39,40)17(47,48)21(55,56)25(63,64)29(71,72)27(67,68)23(59,60)19(51,52)15(43,44)11(35,36)7-75-5-3-1-2-4-6-76-8-12(37,38)16(45,46)20(53,54)24(61,62)28(69,70)30(73,74)26(65,66)22(57,58)18(49,50)14(41,42)10(33)34/h9-10H,1-8H2.
What are the key properties of 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane?
12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane has a molecular weight of 1246.38 g/mol, XLogP of 15.82, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorododecoxy)hexoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluorododecane is sourced from PubChem (CID 13267956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).